SCHEMBL7561553

SCHEMBL7561553

CC(C)(C)OC(=O)NCc1nn(-c2ccc(C(=O)NCc3cc(C(N)=NO)ccc3OCc3ccccc3)cc2C(F)(F)F)c2c1CCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.38
PPARG P37231 2/20 0.38
NTRK1 P04629 1/20 0.34
EPHX2 P34913 2/20 0.34
PTGER1 P34995 3/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX5 P09917 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
HDAC1 Q13547 2/20 0.32
SMPD1 P17405 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DDR1 Q08345 1/20 0.32
OPRK1 P41145 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
PPARA Q07869 2/20 0.31

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
SCHEMBL6939517 0.89 PPARG (0.38) PPARDPPARGNTRK1EPHX2PTGER1
SCHEMBL6942676 0.80 HPN (0.36) NTRK1EPHX2ALOX5DDR1
SCHEMBL7071509 0.79 CYP1A2 (0.37) NTRK1CYP2C9OPRK1OPRM1OPRD1
SCHEMBL5103926 0.79 CYP1A2 (0.38) NTRK1CYP2C9
SCHEMBL6937053 0.77 PPARD (0.42) PPARDPPARGEPHX2PTGER1MRGPRX4
SCHEMBL6939294 0.76 PPARG (0.41) PPARDPPARGEPHX2PTGER1MRGPRX4
SCHEMBL14177408 0.73 CACNA1H (0.41) DDR1
SCHEMBL14177410 0.69 DDR1 (0.37) NTRK1DDR1
SCHEMBL2998879 0.69 CYP1A2 (0.36) PPARGEPHX2ALOX5DDR1
Trifluoroacetic Acid SCHEMBL6941228 0.68 F10 (0.35) EPHX2DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020183519-A1 Antithrombotic carboxylic acid amides BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-05 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-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 PPARD 637/4885PPARG 493/4885NTRK1 4680/4885

“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.