SCHEMBL3589677

SCHEMBL3589677

Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c(C(=O)N(C)Cc3ccccc3F)c2C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RIPK1 Q13546 1/20 0.37
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LIPE Q05469 1/20 0.34
MAOA P21397 1/20 0.34
CASP3 P42574 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL3592623 0.91 MEN1 (0.43) MEN1KMT2AATMTDP1RIPK1
SCHEMBL3586766 0.91 KMT2A (0.38) MEN1KMT2AATMTDP1RIPK1
SCHEMBL3586265 0.89 HTR6 (0.39) MEN1KMT2AATMTDP1RIPK1
SCHEMBL3586121 0.89 MEN1 (0.44) MEN1KMT2AGAAHTTKDM4E
SCHEMBL3588435 0.88 KMT2A (0.36) MEN1KMT2AATMTDP1RIPK1
SCHEMBL3583317 0.88 HRH4 (0.32)
SCHEMBL3581282 0.88 NR3C1 (0.35) RIPK1ALDH1A1
SCHEMBL3575238 0.86 KMT2A (0.46) MEN1KMT2AHTTALDH1A1
SCHEMBL3574632 0.83 CHRM2 (0.30)
SCHEMBL3588379 0.83

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 MEN1 4584/4885KMT2A 1816/4885ATM 2570/4885

“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.