SCHEMBL1538031

SCHEMBL1538031

CCCCC(=O)Cc1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
IAPP P10997 1/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.40
GLS O94925 1/20 0.40
MEN1 O00255 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL4772634 0.82 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19TDP1NPC1
SCHEMBL28023546 0.81 POLB (0.49) CYP1A2CYP2C9CYP2C19TDP1NPC1
SCHEMBL27873701 0.80 IAPP (0.49) CYP1A2CYP2C9CYP2C19DRD2DRD3
SCHEMBL9200148 0.79 TP53 (0.39) CYP1A2CYP2C9CYP2C19TDP1NPC1
SCHEMBL934619 0.76 HPGD (0.59) POLBKMT2AMEN1
SCHEMBL14473145 0.75 TRPV1 (0.44) CYP1A2CYP2C9CYP2C19TDP1NPC1
SCHEMBL330291 0.74 TDP1 (0.56) TDP1POLBKMT2AMEN1
SCHEMBL2251512 0.74 POLB (0.45) CYP1A2CYP2C9CYP2C19TDP1NPC1
SCHEMBL8847741 0.74
SCHEMBL8075617 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
EP-1966146-B1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-03-02 EP disclosed
CN-101341127-A 4,5-dihydro- (1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARM BV (NL) 2009-01-07 CN disclosed
EP-1966146-A1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS Solvay Pharmaceuticals B.V. (NL) 2008-09-10 EP disclosed
WO-2007071662-A1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS SOLVAY PHARMACEUTICALS B.V. (NL) 2007-06-28 WO disclosed
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. 2007-06-21 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-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators CNR1, CNR2, GPR55 CYP1A2 337/4885CYP2C9 362/4885CYP2C19 140/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP1A2 2139/4885CYP2C9 2585/4885CYP2C19 3369/4885

“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.