SCHEMBL13971489

SCHEMBL13971489

CN1Cc2ccccc2C[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.54
CHEK1 O14757 1/20 0.52
JAK2 O60674 1/20 0.52
POLB P06746 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
NOTUM Q6P988 1/20 0.44

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
SCHEMBL32676972 1.00 ACE (0.54) ACECHEK1JAK2POLBTDP1
SCHEMBL3154327 1.00 ACE (0.54) ACECHEK1JAK2POLBTDP1
SCHEMBL2092090 1.00 ACE (0.54) ACECHEK1JAK2POLBTDP1
SCHEMBL8278531 0.86 NOTUM (0.48) ACECHEK1JAK2POLBTDP1
SCHEMBL10116499 0.86 NOTUM (0.48) ACECHEK1JAK2POLBTDP1
SCHEMBL32676817 0.84 HTR1A (0.43) ACECHEK1JAK2POLBTDP1
SCHEMBL13619651 0.84 HTR1A (0.43) ACECHEK1JAK2POLBTDP1
SCHEMBL32676643 0.84 HTR1A (0.43) ACECHEK1JAK2POLBTDP1
SCHEMBL32676967 0.84 HTR1A (0.43) ACECHEK1JAK2POLBTDP1
SCHEMBL7746086 0.81 ACE (0.52) ACECHEK1JAK2POLBTDP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260049060-A1 TETRAHYDROISOQUINOLINYLMETHYLBENZAMIDE COMPOUNDS NATIONAL HEALTH RES INST (TW) 2026-02-19 US disclosed
US-11365177-B2 Chemical uncouplers of respiration and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-21 US disclosed
US-20200317613-A1 CHEMICAL UNCOUPLERS OF RESPIRATION AND METHODS OF USE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2020-10-08 US disclosed
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 WO disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 US disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US disclosed
CN-101200493-A (3S)-N-(L-aminoacyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, preparation method and uses thereof UNIV CAPITAL MEDICAL SCIENCES (CN) 2008-06-18 CN 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 (7 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACE 1749/4885CHEK1 1195/4885JAK2 3973/4885
US-20260049060-A1 TETRAHYDROISOQUINOLINYLMETHYLBENZAMIDE COMPOUNDS OPRK1, OPRD1, OPRM1 ACE 2722/4885CHEK1 2430/4885JAK2 644/4885
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP ACE 2987/4885CHEK1 1033/4885JAK2 3011/4885
US-11365177-B2 Chemical uncouplers of respiration and methods of use thereof PC, UQCRC1, SQOR ACE 1610/4885CHEK1 4481/4885JAK2 3935/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS ACE 3080/4885CHEK1 1108/4885JAK2 3100/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP ACE 2988/4885CHEK1 1062/4885JAK2 3045/4885
US-20200317613-A1 CHEMICAL UNCOUPLERS OF RESPIRATION AND METHODS OF USE THEREOF PC, UQCRC1, SQOR ACE 1610/4885CHEK1 4481/4885JAK2 3935/4885

“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.