SCHEMBL5585010

SCHEMBL5585010

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MMP1 P03956 6/20 0.40
MMP2 P08253 6/20 0.40
MMP9 P14780 6/20 0.40
MMP13 P45452 6/20 0.40
MMP8 P22894 5/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FLT1 P17948 2/20 0.39
FLT4 P35916 2/20 0.39
KDR P35968 2/20 0.39
CYP19A1 P11511 1/20 0.38
CNR1 P21554 1/20 0.38
MMP3 P08254 1/20 0.37
MMP7 P09237 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
SCHEMBL5142857 1.00 ALDH1A1 (0.42) ALDH1A1GLAEGFRERBB2MMP1
SCHEMBL5585265 0.87 CNR1 (0.41) ALDH1A1GLAEGFRERBB2MMP1
SCHEMBL5144983 0.87 CNR1 (0.41) ALDH1A1GLAEGFRERBB2MMP1
SCHEMBL5585266 0.87 CNR1 (0.41) ALDH1A1GLAEGFRERBB2MMP1
Hydrochloric Acid SCHEMBL5166456 0.71 LMNA (0.40) ALDH1A1EGFRLMNAFLT1KDR
SCHEMBL5318640 0.71 MEN1 (0.46) ALDH1A1GLAEGFRERBB2MMP1
SCHEMBL3525482 0.69 CNR1 (0.44) MMP2LMNAL3MBTL1CNR1
SCHEMBL3521154 0.65 CNR1 (0.51) ALDH1A1EGFRERBB2LMNAKMT2A
SCHEMBL29244487 0.63 FLT1 (0.54) MMP1MMP2MMP9MMP13MMP8
SCHEMBL13500866 0.62 CYP1A2 (0.40) EGFRERBB2CNR1

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-20070105914-A1 Substituted sulfonamides MERCK SHARP & DOHME CORP. 2007-05-10 US claimed
US-20070105914-A1 Substituted sulfonamides MERCK SHARP & DOHME CORP. 2007-05-10 US disclosed
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 ALDH1A1 3915/4885GLA 2014/4885EGFR 1653/4885

“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.