SCHEMBL3581282

SCHEMBL3581282

Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c(C(=O)N(C)Cc3ccc(Cl)cc3F)c2C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
MAP2 P11137 2/20 0.32
HAO1 Q9UJM8 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
RORC P51449 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
FPR2 P25090 3/20 0.31
PROKR1 Q8TCW9 3/20 0.31
CHRM2 P08172 2/20 0.30
CHRM1 P11229 2/20 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
SCHEMBL3589589 0.94 MAP2 (0.35) NR3C1PGRNR3C2ARMAP2
SCHEMBL3578045 0.91 PTGDR2 (0.35) NR3C1PGRNR3C2ARMAP2
SCHEMBL3585374 0.91 NR3C1 (0.38) NR3C1PGRNR3C2ARMAP2
SCHEMBL3577635 0.91 CRHBP (0.40) MAP2HAO1CRHBPCRHR2ALDH1A1
SCHEMBL3586731 0.89 HTR6 (0.37) NR3C1PGRNR3C2ARMAP2
SCHEMBL3589677 0.88 MEN1 (0.39) RIPK1ALDH1A1
SCHEMBL3574632 0.86 CHRM2 (0.30) CHRM2CHRM1RRM1RRM2B
SCHEMBL3583317 0.85 HRH4 (0.32)
SCHEMBL3586766 0.84 KMT2A (0.38) MAP2PTGDR2RIPK1ALDH1A1
SCHEMBL3579793 0.84 CRHBP (0.40) MAP2HAO1PTGDR2CRHBPCRHR2

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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US claimed
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 NR3C1 1580/4885PGR 1579/4885NR3C2 2289/4885

“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.