SCHEMBL6448883

SCHEMBL6448883

Oc1ccc(OC(F)(F)F)cc1-c1nc(-c2ccc(C(F)(F)F)cn2)no1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.48
GRM5 P41594 1/20 0.45
CHUK O15111 1/20 0.45
TXNRD1 Q16881 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
STAT3 P40763 8/20 0.42
P2RY1 P47900 1/20 0.36
S1PR1 P21453 1/20 0.35
PPARD Q03181 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
XBP1 P17861 1/20 0.35

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
SCHEMBL7153588 0.85 CASP3 (0.53) CASP3CHUKTXNRD1NOX4STAT3
SCHEMBL7048686 0.84 CASP3 (0.52) CASP3GRM5CHUKTXNRD1NOX4
SCHEMBL7158427 0.81 CASP3 (0.49) CASP3GRM5CHUKTXNRD1NOX4
SCHEMBL7051693 0.80 CHUK (0.68) CASP3GRM5CHUKTXNRD1NOX4
SCHEMBL7188135 0.79 CASP3 (0.42) CASP3GRM5CHUKTXNRD1NOX4
SCHEMBL6449089 0.77 CASP3 (0.49) CASP3GRM5STAT3MAPTPKM
SCHEMBL7157911 0.74 CASP3 (0.44) CASP3GRM5CHUKTXNRD1NOX4
SCHEMBL6454367 0.72 NPC1 (0.52) CASP3GRM5MAPTPKM
SCHEMBL7044304 0.71 CASP3 (0.50) CASP3GRM5CHUKTXNRD1NOX4
SCHEMBL7156609 0.71 CASP3 (0.47) CASP3CHUKTXNRD1NOX4STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC CASP3 330/4885GRM5 4040/4885CHUK 525/4885

“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.