SCHEMBL2255802

SCHEMBL2255802

O=C(O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ GAA P10253 1/20 0.46
▸ CNR1 P21554 6/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ USP5 P45974 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ GCGR P47871 1/20 0.41
▸ GIPR P48546 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13749330 0.91 GCGR (0.44) MEN1KMT2ACNR1ALDH1A1USP5
SCHEMBL2251590 0.91 KMT2A (0.48) MEN1KMT2AGAACNR1ALDH1A1
SCHEMBL2667291 0.88 GCGR (0.59) USP5GCGRGIPR
SCHEMBL2253874 0.84 GCGR (0.42) MEN1KMT2AALDH1A1USP5GCGR
SCHEMBL2667296 0.84 GCGR (0.57) GAAALDH1A1GCGRGIPR
SCHEMBL4271083 0.83 PSEN1 (0.45) GAAALDH1A1POLBGCGRGIPR
SCHEMBL13003304 0.83 GCGR (0.53) USP5GCGRGIPR
SCHEMBL2250281 0.80 GCGR (0.43) MEN1KMT2ACNR1GCGRGIPR
SCHEMBL2251290 0.80 GCGR (0.45) MEN1KMT2AGCGRGIPR
SCHEMBL2667300 0.80 GCGR (0.58) USP5GCGRGIPR

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
US-7989475-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 — — US disclosed
EP-1590336-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2010-12-01 — — EP disclosed
US-20090215825-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2009-08-27 — — 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-20090215825-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GLP1R, GCGR, GPR119 MEN1 2999/4885KMT2A 3734/4885GAA 811/4885

“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.

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