SCHEMBL3577635

SCHEMBL3577635

Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c(C(=O)N(C)Cc3ccc(Cl)cc3Cl)c2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAP2 P11137 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
GCGR P47871 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
SCHEMBL3579793 0.93 CRHBP (0.40) CRHBPCRHR2GAAHTTALDH1A1
SCHEMBL3581282 0.91 NR3C1 (0.35) CRHBPCRHR2ALDH1A1MAP2HAO1
SCHEMBL3576472 0.91 NPSR1 (0.43) CRHBPCRHR2GAAHTTALDH1A1
SCHEMBL3589851 0.90 CRHBP (0.39) CRHBPCRHR2GAAHTTALDH1A1
SCHEMBL3586121 0.90 MEN1 (0.44) GAAHTTALDH1A1MEN1KMT2A
SCHEMBL3585108 0.88 MEN1 (0.33) MEN1KMT2A
SCHEMBL3587819 0.87 CRHBP (0.37) CRHBPCRHR2ALDH1A1MAP2HPGD
SCHEMBL3574632 0.84 CHRM2 (0.30)
SCHEMBL3579818 0.84 LMNA (0.37) CRHBPCRHR2MEN1KMT2AHPGD
SCHEMBL3589589 0.84 MAP2 (0.35) CRHBPCRHR2MAP2HAO1

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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US 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 CRHBP 4368/4885CRHR2 4476/4885GAA 489/4885

“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.