SCHEMBL6313877

SCHEMBL6313877

CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)CC(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.43
PLOD3 O60568 2/20 0.43
PLOD1 Q02809 2/20 0.43
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34

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
SCHEMBL6511528 0.86 PLOD2 (0.44) PLOD2PLOD3PLOD1THRATHRB
SCHEMBL6521101 0.85 PLOD2 (0.43) PLOD2PLOD3PLOD1THRATHRB
SCHEMBL6166658 0.82 PLOD2 (0.50) PLOD2PLOD3PLOD1PDE4DALDH1A1
SCHEMBL9126670 0.79 KMT2A (0.48) ALDH1A1MAPTSMN1; SMN2NPC1TP53
SCHEMBL6313908 0.77 CHRNA1 (0.34) SMN1; SMN2NPC1TP53CYP1A2CYP2D6
SCHEMBL1924889 0.76 PLOD2 (0.60) PLOD2PLOD3PLOD1ALDH1A1MAPT
SCHEMBL1349410 0.75 PLOD2 (0.59) PLOD2PLOD3PLOD1MAPTNPC1
SCHEMBL1348683 0.72 PLOD2 (0.54) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL9145097 0.72 MAPT (0.56) PLOD2PLOD3PLOD1PDE4DALDH1A1
SCHEMBL6169355 0.70 PLOD2 (0.51) PLOD2PLOD3PLOD1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951876-B2 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-10-04 US disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
US-6603008-B1 Inhibit the biosynthesis of prostaglandins by intervention of the action of the enzyme cyclooxygenase on arachidonic acid PFIZER INC. 2003-08-05 US disclosed
US-20030144280-A1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER INC. (US) 2003-07-31 US disclosed
EP-1104760-B1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2003-03-12 EP disclosed
EP-1104760-A1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2001-06-06 EP 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-20030144280-A1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PTGS1, PTGS2, SULT2A1 PLOD2 4247/4885PLOD3 4130/4885PLOD1 4443/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 PLOD2 4746/4885PLOD3 4849/4885PLOD1 4284/4885

“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.