SCHEMBL9963560

SCHEMBL9963560

Cc1c2nc(NCC(=O)N3CCCC3)sc2cc2sc(NCC(=O)N3CCC4(CCN(CC(F)(F)F)CC4)CC3)nc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.39
PTGS2 P35354 6/20 0.39
USP2 O75604 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NAMPT P43490 1/20 0.33
SPR P35270 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL9963561 0.85 PTGS2 (0.39) FABP4PTGS2ALDH1A1TSHRCYP1A2
SCHEMBL9963592 0.85 PTGS2 (0.41) FABP4PTGS2USP2ALDH1A1CYP2D6
SCHEMBL16254821 0.85 FABP4 (0.32) FABP4PTGS2
SCHEMBL9963647 0.85 PTGS2 (0.38) FABP4PTGS2ALDH1A1TSHR
SCHEMBL9963559 0.84 PTGS2 (0.40) FABP4PTGS2ALDH1A1TSHR
SCHEMBL9963630 0.83 PTGS2 (0.40) FABP4PTGS2USP2ALDH1A1TSHR
SCHEMBL9963541 0.80 PTGS2 (0.40) FABP4PTGS2ALDH1A1TSHR
SCHEMBL9963695 0.80 PTGS2 (0.49) FABP4PTGS2ALDH1A1TSHR
SCHEMBL9963545 0.79 PTGS2 (0.51) FABP4PTGS2ALDH1A1TSHR
SCHEMBL9963593 0.79 PTGS2 (0.46) FABP4PTGS2USP2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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 (1 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 FABP4 1794/4885PTGS2 2872/4885USP2 4774/4885

“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.