SCHEMBL3583317

SCHEMBL3583317

Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c(C(=O)N(C)Cc3ccncc3F)c2C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
NAMPT P43490 2/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
TACR1 P25103 1/20 0.30
CDC7 O00311 1/20 0.30

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
SCHEMBL3585108 0.90 MEN1 (0.33) NAMPTCCNCCDK8
SCHEMBL3577652 0.88 BRD4 (0.30)
SCHEMBL3589677 0.88 MEN1 (0.39)
SCHEMBL3574632 0.86 CHRM2 (0.30)
SCHEMBL3588379 0.86
SCHEMBL3581282 0.85 NR3C1 (0.35)
SCHEMBL3587456 0.85 GPBAR1 (0.31) GPBAR1
SCHEMBL3577635 0.81 CRHBP (0.40)
SCHEMBL3586121 0.80 MEN1 (0.44) TACR1
SCHEMBL3575238 0.80 KMT2A (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076492-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 EP claimed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 WO claimed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E HRH4 2115/4885GPBAR1 4425/4885NAMPT 76/4885

“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.