SCHEMBL1987267

SCHEMBL1987267

COc1ccc(-n2nc(C(=O)O)c(C)c2-c2cc(Br)co2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CCNA2 P20248 4/20 0.46
CDK2 P24941 4/20 0.46
CCNA1 P78396 4/20 0.46
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PTGS2 P35354 1/20 0.41
RPA1 P27694 2/20 0.41
NR4A2 P43354 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.41
ADORA1 P30542 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL1986859 0.89 TP53 (0.48) TP53CCNA2CDK2CCNA1PTGS2
SCHEMBL1988013 0.87 TP53 (0.46) TP53CCNA2CDK2CCNA1PTGS2
SCHEMBL1984541 0.87 CYP1A2 (0.44) CNR1CNR2PTGS2RPA1ALDH1A1
SCHEMBL1989096 0.86 TP53 (0.44) TP53CCNA2CDK2CCNA1PTGS2
SCHEMBL1984692 0.82 TP53 (0.48) TP53CCNA2CDK2CCNA1CNR1
SCHEMBL1984668 0.80 TP53 (0.50) TP53CCNA2CDK2CCNA1RPA1
SCHEMBL1985609 0.79 MAPT (0.48) TP53CCNA2CDK2CCNA1CNR1
SCHEMBL1990201 0.78 TP53 (0.48) TP53CCNA2CDK2CCNA1PTGS2
SCHEMBL1987723 0.77 TP53 (0.45) TP53CCNA2CDK2CCNA1RPA1
SCHEMBL1984324 0.76 CYP1A2 (0.46) CNR1CNR2PTGS2RPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1602656-A1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S.C. a R.L. (IT) 2005-12-07 EP claimed
US-20050261281-A1 Pharmaceutical compounds MIDCAP FUNDING III, LLC 2005-11-24 US claimed
US-8227620-B2 Pharmaceutical compounds NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2012-07-24 US disclosed
EP-1602656-B1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S C A R L (IT) 2011-06-29 EP disclosed
US-20100105896-A1 PHARMACEUTICAL COMPOUNDS Neuroscienze Pharmaness S.C.a.R.I. (IT) 2010-04-29 US disclosed
US-7659407-B2 pyrazole derivatives having affinity for cannabinoidergic CB1 and/or CB2 receptors; immune disorders, osteoporosis, renal ischemia, inflammation,transplant rejection; 5-(5-Chloro-thiofen-2-yl)-1-(4-methoxy-phenyl)-4-methyl-1H-pyrazol-3-carboxylic acid Neuroscienze Pharmaness S.C.a.R.I. (IT) 2010-02-09 US disclosed
EP-1602656-A1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S.C. a R.L. (IT) 2005-12-07 EP disclosed
US-20050261281-A1 Pharmaceutical compounds MIDCAP FUNDING III, LLC 2005-11-24 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-20100105896-A1 PHARMACEUTICAL COMPOUNDS CNR1, CNR2, OPRD1 TP53 4663/4885CCNA2 1817/4885CDK2 1140/4885
US-20050261281-A1 Pharmaceutical compounds CNR1, CNR2, OPRD1 TP53 4717/4885CCNA2 1347/4885CDK2 1185/4885

“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.