SCHEMBL5144983

SCHEMBL5144983

CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@](F)(Cc1ccc(Cl)cc1)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
CYP19A1 P11511 1/20 0.38
MMP1 P03956 4/20 0.38
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
MMP8 P22894 4/20 0.38
MMP13 P45452 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FLT1 P17948 2/20 0.37
FLT4 P35916 2/20 0.37
KDR P35968 2/20 0.37
EEF2K O00418 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL5585265 1.00 CNR1 (0.41) CNR1ALDH1A1GLAEGFRERBB2
SCHEMBL5585266 1.00 CNR1 (0.41) CNR1ALDH1A1GLAEGFRERBB2
SCHEMBL5585010 0.87 ALDH1A1 (0.42) CNR1ALDH1A1GLAEGFRERBB2
SCHEMBL5142857 0.87 ALDH1A1 (0.42) CNR1ALDH1A1GLAEGFRERBB2
SCHEMBL13500869 0.72 CNR1 (0.45) CNR1EGFRLMNAFLT1KDR
Hydrochloric Acid SCHEMBL3523411 0.71 CNR1 (0.44) CNR1EGFRLMNAFLT1KDR
SCHEMBL5318640 0.69 MEN1 (0.46) CNR1ALDH1A1GLAEGFRERBB2
SCHEMBL3519146 0.68 CNR1 (0.49) CNR1L3MBTL1
SCHEMBL587136 0.65 CA2 (0.57) ALDH1A1MMP1MMP2MMP9MMP8
SCHEMBL587137 0.65 CA2 (0.57) ALDH1A1MMP1MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663113-A4 SUBSTITUTED SULFONAMIDES MERCK & CO INC (US) 2007-06-13 EP claimed
US-20070105914-A1 Substituted sulfonamides MERCK SHARP & DOHME CORP. 2007-05-10 US claimed
EP-1663113-A2 SUBSTITUTED SULFONAMIDES Merck & Co., Inc. (US) 2006-06-07 EP claimed
WO-2005027837-A2 SUBSTITUTED SULFONAMIDES MERCK & CO., INC. (US) 2005-03-31 WO claimed
US-20070105914-A1 Substituted sulfonamides MERCK SHARP & DOHME CORP. 2007-05-10 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-20070105914-A1 Substituted sulfonamides CNR2, CNR1, FAAH CNR1 2/4885ALDH1A1 3915/4885GLA 2014/4885

“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.