SCHEMBL1930107

SCHEMBL1930107

CCOC(=O)c1sc(=O)[nH]c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.46
MAPT P10636 5/20 0.41
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 4/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
CYP1A2 P05177 2/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL10821124 0.89 MC4R (0.45) MC4RMAPTKDM4EKMT2AMEN1
SCHEMBL10820829 0.84 MC4R (0.46) MC4RMAPTKDM4EKMT2AMEN1
SCHEMBL5991400 0.84 MC4R (0.41) MC4RMAPTKDM4EKMT2AMEN1
SCHEMBL3736618 0.78 MC4R (0.67) MC4RMAPTKDM4EKMT2AMEN1
SCHEMBL11811558 0.77 MC4R (0.51) MC4RMAPTKDM4EKMT2AMEN1
SCHEMBL10943737 0.73 HPGD (0.49) MAPTKDM4EKMT2AGAAHSD17B10
SCHEMBL11276936 0.72 MAPT (0.60) MAPTKDM4EKMT2AMEN1HSP90AA1
SCHEMBL11801791 0.70 KDM4E (0.54) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL1930724 0.69 HDAC4 (0.41) MAPTKDM4EKMT2AMEN1HDAC4
SCHEMBL11282298 0.69 ALDH1A1 (0.52) MAPTKDM4EKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956070-B2 Piperidines as chemokine modulators (CCR) ASTRAZENECA AB (SE) 2011-06-07 US disclosed
CN-101466378-A Piperidine derivatives for the treatment of osteoarthritis and osteoarthrosis ASTRAZENECA AB (SE) 2009-06-24 CN disclosed
EP-2010175-A1 PIPERIDINE DERIVATIVES USEFUL FOR TREATING OSTEOARTHRITIS AND OSTEOARTROSIS AstraZeneca AB (SE) 2009-01-07 EP disclosed
US-20080108661-A1 Medicaments ASTRAZENECA AB 2008-05-08 US disclosed
WO-2007114770-A1 PIPERIDINE DERIVATIVES USEFUL FOR TREATING OSTEOARTHRITIS AND OSTEOARTROSIS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
CN-1938274-A Novel piperidines as chemokine modulators (CCR) ASTRAZENECA AB (SE) 2007-03-28 CN disclosed
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) ASTRAZENECA AB (SE) 2007-03-08 US disclosed
EP-1713772-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005073192-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) ASTRAZENECA AB (SE) 2005-08-11 WO disclosed
US-5008281-A Insecticides, miticides, nematocides ROUSSEL UCLAF (FR) 1991-04-16 US disclosed
US-4925862-A PESTICIDES ROUSSEL UCLAF (FR) 1990-05-15 US disclosed
US-4602937-A PLANT SAFENING AGENTS, ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1986-07-29 US disclosed
US-4602454-A PLANT SAFENING AGENTS, SEEDS CHLOROACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1986-07-29 US disclosed
US-4586948-A 2,4-disubstituted-5-thiazole-carboxylic acids and derivatives MONSANTO COMPANY (US) 1986-05-06 US disclosed
US-4437876-A PLANT SAFENING AGENTS FOR ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1984-03-20 US disclosed
US-4437875-A PLANT SAFENING AGENT FOR ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1984-03-20 US disclosed
US-4251261-A PLANT GROWTH REGULATORS; USE WITH HERBICIDAL 2-CHLORO-N-(2-METHOXY-1-METHYLETHYL)-6'-ETHYL-O-ACETOTOLUIDIDE MONSANTO COMPANY (US) 1981-02-17 US disclosed
US-4199506-A REDUCES HERBICIDAL INJURY TO PLATNS DUE TO ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1980-04-22 US disclosed
US-3932436-A 2-Thiazolone-5-carboxylic acid ester fungicidal agents BAYER AKTIENGESELLSCHAFT (DT) 1976-01-13 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 (2 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-20070054924-A1 Novel piperidines as chemokine modulators (ccr) CCR3, CCR1, CCR4 MC4R 702/4885MAPT 4473/4885KDM4E 3873/4885
US-20080108661-A1 Medicaments CCR3, CCR1, CCR6 MC4R 371/4885MAPT 4678/4885KDM4E 4574/4885

“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.