Sugi Predict

Sugi Predict / Compounds / SCHEMBL12466600

SCHEMBL12466600

SCHEMBL12466600

CCn1c(C(=O)O)cc2c(F)cccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 8/20 0.61
▸ GPR35 Q9HC97 1/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ PTGER4 P35408 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ POLB P06746 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL16386407 0.87 CCR2 (0.50) CCR2PTGDR2PTGER4KDM4EALDH1A1
SCHEMBL699819 0.83 GPR35 (0.53) CCR2GPR35KDM4EALDH1A1POLB
SCHEMBL699773 0.81 CCR2 (0.63) CCR2GPR35PTGDR2KDM4EALDH1A1
SCHEMBL2324550 0.80 MCL1 (0.56) CCR2GPR35KDM4EALDH1A1HPGD
SCHEMBL699964 0.79 CCR2 (0.65) CCR2GPR35KDM4EALDH1A1POLB
SCHEMBL700674 0.78 CCR2 (0.51) CCR2GPR35KDM4EALDH1A1POLB
SCHEMBL3283184 0.78 CCR2 (0.60) CCR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL8055 0.78 DAO (0.54) CCR2KDM4EALDH1A1HPGDTSHR
SCHEMBL19331846 0.77 ABCB11 (0.57) CCR2GPR35KDM4EALDH1A1POLB
SCHEMBL700831 0.76 MCL1 (0.52) CCR2GPR35KDM4EALDH1A1POLB

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 23 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
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-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
EP-3013333-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-03-27 — — EP disclosed
US-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-18 — — US disclosed
EP-3298003-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-03-28 — — EP disclosed
US-9549921-B2 Heterocyclic compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2017-01-24 — — US disclosed
EP-3013333-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C Merck Sharp & Dohme Corp. (US) 2016-05-04 — — EP disclosed
WO-2014209729-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 — — WO disclosed
WO-2014210397-A1 RM2 ANTIGENS AND USE THEREOF ACADEMIA SINICA (TW) 2014-12-31 — — WO disclosed
WO-2014205592-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 — — 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-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 CCR2 958/4885GPR35 2793/4885PTGDR2 2886/4885
US-20130023576-A1 Pyrazole Compounds as CRTH2 Antagonists HRH2, HRH1, HRH4 CCR2 2460/4885GPR35 302/4885PTGDR2 59/4885
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 CCR2 958/4885GPR35 2793/4885PTGDR2 2886/4885
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 CCR2 958/4885GPR35 2793/4885PTGDR2 2886/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 CCR2 958/4885GPR35 2793/4885PTGDR2 2886/4885

“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.