SCHEMBL2832987

SCHEMBL2832987

CN(C)C(=O)[C@@H](O)[C@H](O)C(=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
ADAM17 P78536 1/20 0.37
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
PMP22 Q01453 1/20 0.35
TP53 P04637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2832006 1.00 ALDH1A1 (0.39) ALDH1A1TSHRADAM17NFKB1THPO
SCHEMBL283357 1.00 ALDH1A1 (0.39) ALDH1A1TSHRADAM17NFKB1THPO
SCHEMBL713247 1.00 ALDH1A1 (0.39) ALDH1A1TSHRADAM17NFKB1THPO
SCHEMBL11339365 0.88 TSHR (0.56) ALDH1A1TSHRADAM17NFKB1TP53
SCHEMBL16356392 0.88 ADAM17 (0.33) ALDH1A1TSHRADAM17
SCHEMBL18902855 0.86 ADAM17 (0.33) ALDH1A1TSHRADAM17
SCHEMBL7259228 0.86 ADAM17 (0.33) ALDH1A1TSHRADAM17
SCHEMBL21631865 0.84 ALDH1A1 (0.33) ALDH1A1TSHRADAM17NFKB1THPO
SCHEMBL8284890 0.84 ALDH1A1 (0.33) ALDH1A1TSHRADAM17NFKB1THPO
SCHEMBL12000465 0.84 ALDH1A1 (0.33) ALDH1A1TSHRADAM17NFKB1THPO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279225-A1 COMPOUNDS AND METHODS FOR THERANOSTIC TARGETING OF PARP ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-08-22 US disclosed
EP-4319755-A1 COMPOUNDS AND METHODS FOR THERANOSTIC TARGETING OF PARP ACTIVITY Board of Regents, The University of Texas System (US) 2024-02-14 EP disclosed
WO-2022216979-A1 COMPOUNDS AND METHODS FOR THERANOSTIC TARGETING OF PARP ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-13 WO disclosed
US-20210139404-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS Io Therapeutics, Inc. 2021-05-13 US disclosed
US-10919835-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids Io Therapeutics, Inc. (US) 2021-02-16 US disclosed
EP-3281933-B1 (METH)ACRYLATE MANUFACTURING METHOD TOAGOSEI CO LTD (JP) 2020-08-19 EP disclosed
US-20200190008-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-06-18 US disclosed
US-10619058-B2 Curable composition TOAGOSEI CO., LTD. (JP) 2020-04-14 US disclosed
US-10611856-B2 Curable composition TOAGOSEI CO., LTD. (JP) 2020-04-07 US disclosed
US-10590059-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids Io Therapeutics, Inc. (US) 2020-03-17 US disclosed
US-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis ABBVIE INC. 2008-01-24 US disclosed
WO-2007150010-A2 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2007-12-27 WO disclosed
US-7169544-B2 Thermally developable materials containing thermal solvents EASTMAN KODAK COMPANY (US) 2007-01-30 US disclosed
US-7169544-B2 Thermally developable materials containing thermal solvents EASTMAN KODAK COMPANY (US) 2007-01-30 US disclosed
US-6818778-B2 HYDROLYSIS OF OCTAETHYL(-)-(18-CROWN-6)-2,3,11,12-TETRACARBOXAMIDE OBTAINED BY CONDENSATION OF N,N,N',N'-TETRAALKYL-D-TARTARAMIDE WITH DIHALO- OR DISULFONYLOXY- DIETHYL ETHER RSTECH CO., LTD. (KR) 2004-11-16 US disclosed
US-20040044231-A1 Process for preparing (-)-(18-crown-6)-2,3,11,12-tetracarboxylic acid, and (-)-chiral stationary phases for resolution of racemic compounds using the same RSTECH CO., LTD. (KR) 2004-03-04 US disclosed
WO-2002042288-A1 PROCESS FOR PREPARING (-)-(18-CROWN-6)-2,3,11,12-TETRACARBOXYLIC ACID, AND (-)-CHIRAL STATIONARY PHASES FOR RESOLUTION OF RACEMIC COMPOUNDS USING THE SAME RSTECH CO., LTD (KR) 2002-05-30 WO disclosed
US-5994479-A Curable coating compositions containing blends of carbamate-functional compounds BASF CORPORATION (US) 1999-11-30 US disclosed
US-5854385-A Coating compositions with low molecular weight carbamate or urea component BASF CORPORATION (US) 1998-12-29 US disclosed
EP-0767187-A1 Coating compositions with low molecular weight carbamate of urea component BASF CORPORATION (US) 1997-04-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200190008-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS RXRG, RXRB, RXRA ALDH1A1 835/4885TSHR 53/4885ADAM17 3776/4885
US-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis HRH4, HRH3, HNMT ALDH1A1 852/4885TSHR 1156/4885ADAM17 2345/4885
US-20240279225-A1 COMPOUNDS AND METHODS FOR THERANOSTIC TARGETING OF PARP ACTIVITY PARP8, PARP1, PARP3 ALDH1A1 2204/4885TSHR 1586/4885ADAM17 777/4885
US-10590059-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids RXRG, RXRB, RXRA ALDH1A1 835/4885TSHR 53/4885ADAM17 3776/4885
US-20040044231-A1 Process for preparing (-)-(18-crown-6)-2,3,11,12-tetracarboxylic acid, and (-)-chiral stationary phases for resolution of racemic compounds using the same CCR6, CCR1, CCR9 ALDH1A1 519/4885TSHR 1402/4885ADAM17 1487/4885
US-10611856-B2 Curable composition ACR, KAT2B, KAT5 ALDH1A1 4208/4885TSHR 3296/4885ADAM17 1522/4885
US-10919835-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids RXRG, RXRB, RXRA ALDH1A1 835/4885TSHR 53/4885ADAM17 3776/4885
US-20210139404-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS RXRG, RXRB, RXRA ALDH1A1 835/4885TSHR 53/4885ADAM17 3776/4885
US-10619058-B2 Curable composition ZMYND8, AZI2, KAT2A ALDH1A1 3255/4885TSHR 3179/4885ADAM17 1900/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.