SCHEMBL2030601

SCHEMBL2030601

CCC(C(N)=O)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
EPHX1 P07099 1/20 0.41
ESR1 P03372 1/20 0.39
ACP3 P15309 1/20 0.39
NR3C2 P08235 2/20 0.38
ROCK2 O75116 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5607127 0.86 ALDH1A1 (0.42) ALDH1A1EPHX1ESR1ACP3NR3C2
SCHEMBL6722066 0.83 ESR1 (0.41) ALDH1A1ESR1ACP3ROCK2TSHR
SCHEMBL1928791 0.83 ACP3 (0.43) ALDH1A1ESR1ACP3TSHRLMNA
SCHEMBL29053314 0.81 ESR1 (0.39) ALDH1A1ESR1ACP3ROCK2TSHR
SCHEMBL10515048 0.81 TSHR (0.55) ALDH1A1EPHX1TSHRLMNAHSD17B10
Water SCHEMBL8545817 0.81 ACP3 (0.42) ALDH1A1ESR1ACP3TSHRLMNA
SCHEMBL5504222 0.81 EPHX1 (0.41) ALDH1A1EPHX1TSHRLMNAHSD17B10
SCHEMBL14678497 0.81 EPHX1 (0.62) ALDH1A1EPHX1NR3C2HSD17B10TDP1
SCHEMBL11082535 0.81 ALDH1A1 (0.41) ALDH1A1EPHX1ESR1ACP3NR3C2
SCHEMBL15502391 0.80 EPHX1 (0.40) ALDH1A1EPHX1TSHRLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP claimed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO claimed
US-20240368209-A1 GEMCITABINE ANTICANCER DERIVATIVE AND ANTICANCER PHARMACEUTICAL USE ASCENTAWITS PHARMACEUTICALS, LTD. (CN) 2024-11-07 US disclosed
EP-4407019-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2024-07-31 EP disclosed
EP-4365182-A1 GEMCITABINE ANTICANCER DERIVATIVE AND ANTICANCER PHARMACEUTICAL USE Ascentawits Pharmaceuticals, Ltd. (CN) 2024-05-08 EP disclosed
EP-3365334-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS Otsuka Pharmaceutical Co., Ltd. (JP) 2018-08-29 EP disclosed
WO-2017068412-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-27 WO disclosed
CN-103694277-A Red-phosphorescence organic light emitting diode (LED) GUANMAT OPTOELECTRONIC MATERIALS JIANGXI INC 2014-04-02 CN disclosed
US-7964593-B2 Indolone-acetamide derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2011-06-21 US disclosed
US-20100069375-A1 Indolone-Acetamide Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2010-03-18 US disclosed
US-7645887-B2 2-(5-iodo-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide; epilepsy, epileptogenesis, seizure disorders and convulsion; 2-(5-chloro-2-oxo-2,3-dhydro-1H-indol-1-yl)-N-[6-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide UCB PHARMA, S.A. (BE) 2010-01-12 US disclosed
US-20070043038-A1 Indolone-acetamide derivatives, processes for preparing them and their uses UCB, S.A. (BE) 2007-02-22 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 (3 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-20240368209-A1 GEMCITABINE ANTICANCER DERIVATIVE AND ANTICANCER PHARMACEUTICAL USE AKR1C3, AKR1C2, AKR1A1 ALDH1A1 70/4885EPHX1 2089/4885ESR1 2836/4885
US-20100069375-A1 Indolone-Acetamide Derivatives, Processes for Preparing Them and Their Uses AANAT, TPH2, CYP1A2 ALDH1A1 308/4885EPHX1 1156/4885ESR1 3156/4885
US-20070043038-A1 Indolone-acetamide derivatives, processes for preparing them and their uses AANAT, TPH2, CYP1A2 ALDH1A1 308/4885EPHX1 1156/4885ESR1 3156/4885

“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.