SCHEMBL186922

SCHEMBL186922

COC(=O)c1ccc(OCC(=O)N(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.60
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
KEAP1 Q14145 3/20 0.52
NFE2L2 Q16236 3/20 0.52
CYP3A4 P08684 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL334299 0.83 SMN1; SMN2 (0.63) MAPTSMN1; SMN2RAB9ALMNAGAA
SCHEMBL6538720 0.83 SMN1; SMN2 (0.68) SMN1; SMN2TP53MAPK1KEAP1NFE2L2
SCHEMBL185840 0.81 SMN1; SMN2 (0.56) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL4262664 0.81 MAPT (0.70) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL654003 0.81 MAPT (0.71) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL3372388 0.81 MAPT (0.70) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL204175 0.80 MAPT (0.75) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL27507057 0.79 MAPT (0.68) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL4477658 0.79 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL6538707 0.79 MAPT (0.68) MAPTSMN1; SMN2RAB9ANPC1LMNA

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-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-8357716-B2 Pyrazole derivatives used as CCR4 receptor antagonists GLAXO GROUP LIMITED (GB) 2013-01-22 US disclosed
US-8357716-B2 Pyrazole derivatives used as CCR4 receptor antagonists GLAXO GROUP LIMITED (GB) 2013-01-22 US disclosed
US-8304446-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-11-06 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
EP-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 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-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists CCR4, CCR3, CCR1 MAPT 1942/4885SMN1; SMN2 3655/4885RAB9A 3011/4885
US-20130030031-A1 Novel Compounds CYP3A4, CYP3A43, ABCG2 MAPT 323/4885SMN1; SMN2 3354/4885RAB9A 1288/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 MAPT 323/4885SMN1; SMN2 3354/4885RAB9A 1288/4885

“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.