SCHEMBL12466324

SCHEMBL12466324

CCn1c(C(=O)O)cc2ccc(F)cc21

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.60
CCR2 P41597 6/20 0.60
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.47
CCR9 P51686 5/20 0.44
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.41

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
SCHEMBL12466580 0.88 CCR2 (0.57) GPR35CCR2ALDH1A1KDM4EHPGD
SCHEMBL7378692 0.88 ALDH1A1 (0.65) GPR35CCR2ALDH1A1KDM4EHPGD
SCHEMBL23877933 0.84 CCR2 (0.56) GPR35CCR2ALDH1A1KDM4EHPGD
SCHEMBL5023537 0.83 GPR35 (0.67) GPR35CCR2ALDH1A1CCR9CYP1A2
SCHEMBL18258150 0.82 NOD2 (0.52) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21647590 0.81 CCR2 (0.54) GPR35CCR2ALDH1A1KDM4EHPGD
Ether SCHEMBL12466642 0.81 KDM4E (0.57) GPR35CCR2ALDH1A1KDM4EHPGD
SCHEMBL20909819 0.81 CCR9 (0.62) GPR35CCR2ALDH1A1CCR9CYP1A2
SCHEMBL18247515 0.79 CCR2 (0.64) GPR35CCR2ALDH1A1KDM4EHPGD
SCHEMBL5744064 0.79 HSD17B10 (0.76) GPR35CCR2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
EP-3339305-B1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG ZHEJIANG HISUN PHARM CO LTD (CN) 2022-05-04 EP disclosed
CN-107849015-B Benzimidazole derivatives as PAD4 inhibitors 葛兰素知识产权发展有限公司 2021-03-19 CN disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-26 US disclosed
CN-107011332-B Pyrazole compounds as CRTH2 antagonists GB007公司 2020-03-13 CN disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
US-20180194751-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2018-07-12 US disclosed
EP-3339305-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG Zhejiang Hisun Pharmaceutical Co., Ltd (CN) 2018-06-27 EP disclosed
EP-3298003-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-03-28 EP disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
EP-2668181-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-11-05 EP disclosed
US-8759386-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
EP-2668181-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
CN-103339125-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2013-10-02 CN disclosed
US-20130023576-A1 Pyrazole Compounds as CRTH2 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
WO-2012101043-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO 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-20130023576-A1 Pyrazole Compounds as CRTH2 Antagonists HRH2, HRH1, HRH4 GPR35 302/4885CCR2 2460/4885ALDH1A1 1810/4885
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 GPR35 2793/4885CCR2 958/4885ALDH1A1 209/4885
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 GPR35 2793/4885CCR2 958/4885ALDH1A1 209/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 GPR35 2793/4885CCR2 958/4885ALDH1A1 209/4885
US-20180194751-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG FGFR1, FGFR2, FGFR4 GPR35 576/4885CCR2 3562/4885ALDH1A1 752/4885

“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.