SCHEMBL7301352

SCHEMBL7301352

C[N]S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.55
PRSS1 P07477 3/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
CA2 P00918 3/20 0.50
PLCG1 P19174 1/20 0.48
PKM P14618 1/20 0.46
MMP2 P08253 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 1/20 0.45
CA1 P00915 1/20 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
IDO1 P14902 1/20 0.41
CA14 Q9ULX7 1/20 0.39
CYP2A6 P11509 1/20 0.38
GAA P10253 2/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL127246 0.78 F2 (0.57) F2PRSS1PRSS2PRSS3CA2
SCHEMBL17787430 0.78 F2 (0.57) F2PRSS1PRSS2PRSS3CA2
SCHEMBL10530488 0.78 F2 (0.63) F2PRSS1PRSS2PRSS3CA2
SCHEMBL7303158 0.76 F2 (0.55) F2PRSS1PRSS2PRSS3CA2
SCHEMBL6363790 0.76 ALDH1A1 (0.57) F2PRSS1PRSS2PRSS3CA2
SCHEMBL7300168 0.76 F2 (0.50) F2PRSS1PRSS2PRSS3CA2
SCHEMBL19398553 0.76 F2 (0.50) F2PRSS1PRSS2PRSS3CA2
SCHEMBL474153 0.75 ALDH1A1 (0.52) CA2CA12CA9CA1CA14
SCHEMBL15576009 0.74 CA2 (0.48) F2PRSS1PRSS2PRSS3CA2
SCHEMBL7301521 0.73 PKM (0.61) F2PRSS1PRSS2PRSS3CA2

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
US-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors EMORY UNIVERSITY 2002-09-12 US disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP 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-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors AVPR1A, AVPR2, AVPR1B F2 614/4885PRSS1 842/4885PRSS2 1400/4885

“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.