SCHEMBL677552

SCHEMBL677552

CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2CC1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.67
CYP19A1 P11511 5/20 0.59
ACHE P22303 1/20 0.55
DRD5 P21918 1/20 0.53
MMP3 P08254 1/20 0.53
MMP8 P22894 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL5880416 1.00 ACE (0.67) ACECYP19A1ACHEDRD5MMP3
SCHEMBL29666098 1.00 ACE (0.67) ACECYP19A1ACHEDRD5MMP3
SCHEMBL8243497 1.00 ACE (0.67) ACECYP19A1ACHEDRD5MMP3
SCHEMBL26312410 0.91 CYP19A1 (0.57) ACECYP19A1ACHEMEN1KMT2A
SCHEMBL16265990 0.90 CYP19A1 (0.56) ACECYP19A1ACHEMEN1KMT2A
SCHEMBL24380346 0.89 CYP19A1 (0.72) CYP19A1
SCHEMBL25756464 0.89 CYP19A1 (0.72) CYP19A1
SCHEMBL29582353 0.89 CYP19A1 (0.72) CYP19A1
SCHEMBL16750308 0.89 CYP19A1 (0.72) CYP19A1
SCHEMBL15112500 0.88 ACHE (0.57) ACECYP19A1ACHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349342-B Pyridine diindyl and imidazolone butyryl-Val-Phe- Glucosamine, preparation, activity and application 首都医科大学 2019-09-17 CN claimed
CN-106317204-A Pyridinoindoloimidazolonebutyryl-Asp-diglucosamine, and preparation, activity and application thereof 首都医科大学 2017-01-11 CN claimed
CN-106279372-A Double pyrido indole imidazolone-butyryl-Lys-glucosamine, it prepares, activity and application 首都医科大学 2017-01-04 CN claimed
CN-103450340-B The antineoplastic oligopeptide that heterocyclic carboxylic acid is modified, its synthesis, antitumor action and application Capital Medical University (CN) 2015-08-05 CN claimed
CN-102827307-B Beta-cyclodextrin-modified tetrahydro-beta-carboline carboxylic acid derivatives, and preparation method and application thereof UNIV CAPITAL MEDICAL 2015-06-17 CN claimed
CN-103446589-B Tetrahydro-beta-carbolinyl-3- formyl-diethylenetriamino-beta-cyclodextrin copper complex, and preparation, antithrombotic action and application thereof UNIV CAPITAL MEDICAL SCIENCES 2015-05-27 CN claimed
CN-103450340-A Heterocyclic carboxylic acid-modified anti-tumor oligopeptides and their synthesis, anti-tumor effects and application UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
CN-103450338-A Heterocyclic carboxylic acid-modified thymopentins and their preparation method, anti-tumor effect and use UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
CN-103450371-A Tetrahydro-beta-carbolinyl-3-formacyl-diethylenetriamino-beta-cyclodextrins, and preparation, antithrombotic activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
CN-103446589-A Tetrahydro-beta-carbolinyl-3- formyl-diethylenetriamino-beta-cyclodextrin copper complex, and preparation, antithrombotic action and application thereof UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US claimed
US-20060292202-A1 Drug delivery device BAUSCH & LOMB INCORPORATED 2006-12-28 US claimed
US-12458627-B2 Autotaxin inhibitors and uses thereof DF 2024 IP ACQUISITION, LLC (US) 2025-11-04 US disclosed
EP-4026549-A1 AUTOTAXIN INHIBITORS AND USES THEREOF Sabre Therapeutics LLC (US) 2022-07-13 EP disclosed
EP-3302490-B1 AUTOTAXIN INHIBITORS AND USES THEREOF SABRE THERAPEUTICS LLC (US) 2022-04-13 EP disclosed
US-20200339562-A1 COVALENT BTK INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2020-10-29 US disclosed
US-20050004169-A1 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2005-01-06 US disclosed
US-20040102438-A1 Gaba-receptor modulators for the treatment of neurodegenerative diseases of the eye DR. GERHARD MANN CHEM.-PHARM. FABRIK GMGH (DE) 2004-05-27 US disclosed
WO-2003014147-A1 NOVEL DEPSIPEPTIDES AND PROCESS FOR PREPARING SAME CUBIST PHARMACEUTICALS, INC. (US) 2003-02-20 WO disclosed
US-5047400-A Treatment of infection; antitumor agents ADIR ET CIE (FR) 1991-09-10 US 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 (5 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-12458627-B2 Autotaxin inhibitors and uses thereof ENPP2, SERPINB1, RNASE1 ACE 442/4885CYP19A1 2934/4885ACHE 826/4885
US-20050004169-A1 Podophyllotoxin derivatives APEH, DAGLA, DPY30 ACE 4001/4885CYP19A1 1694/4885ACHE 593/4885
US-20200339562-A1 COVALENT BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN ACE 878/4885CYP19A1 2727/4885ACHE 3344/4885
US-20060292202-A1 Drug delivery device ALDH1A2, ADRB2, ADRA2B ACE 913/4885CYP19A1 2588/4885ACHE 71/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 ACE 4001/4885CYP19A1 1694/4885ACHE 593/4885

“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.