SCHEMBL7452249

SCHEMBL7452249

C#CS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.50
PLCG1 P19174 1/20 0.48
CA12 O43570 5/20 0.45
CA9 Q16790 5/20 0.45
CA1 P00915 5/20 0.45
MMP2 P08253 4/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
IDO1 P14902 2/20 0.41
CA14 Q9ULX7 3/20 0.39
CYP2A6 P11509 1/20 0.38
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CA4 P22748 1/20 0.35

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
SCHEMBL7456723 0.76 ALDH1A1 (0.54) CA2CA12CA9CA1MMP2
SCHEMBL1721592 0.76 GAA (0.54) CA2CA12CA9CA1MMP2
SCHEMBL12017078 0.76 CA2 (0.50) CA2PLCG1CA12CA9CA1
SCHEMBL19181037 0.76 MMP2 (0.45) CA2CA1MMP2MMP1MMP9
SCHEMBL1075415 0.75 HTR6 (0.50) CA2CA12CA9CA1MMP2
SCHEMBL31599165 0.74 HTT (0.52) CA2CA12CA9CA1MMP1
SCHEMBL6547691 0.71 CA2 (0.55) CA2F2CYP2A6HTT
SCHEMBL10050325 0.71 PLCG1 (0.59) CA2PLCG1CA12CA9CA1
SCHEMBL15603477 0.71 CA2 (0.45) CA2PLCG1CA12CA9CA1
SCHEMBL6548514 0.71 ALDH1A1 (0.57) CA2CA9CA1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015035426-A1 ANTIMICROBIAL COMPUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 WO disclosed
US-20100081647-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS PAION UK LIMITED (GB) 2010-04-01 US disclosed
EP-1162962-A4 ALKYNYL ARYL SULFONES LONZA AG (US) 2002-10-30 EP disclosed
EP-1162962-A1 ALKYNYL ARYL SULFONES LONZA INC. (US) 2001-12-19 EP disclosed
US-6232503-B1 MICROBIOCIDES LONZA INC. 2001-05-15 US disclosed
WO-2000056305-A1 ALKYNYL ARYL SULFONES LONZA INC. (US) 2000-09-28 WO 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-20100081647-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS GABRA5, GABRA6, GABRA1 CA2 869/4885PLCG1 4646/4885CA12 3208/4885

“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.