SCHEMBL4718976

SCHEMBL4718976

N=C(N)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.67
CA9 Q16790 10/20 0.67
CA1 P00915 10/20 0.67
CA5A P35218 4/20 0.67
CA5B Q9Y2D0 4/20 0.67
CA4 P22748 3/20 0.67
F2 P00734 1/20 0.60
PRSS1 P07477 1/20 0.60
PRSS2 P07478 1/20 0.60
PRSS3 P35030 1/20 0.60
CA12 O43570 8/20 0.59
CA14 Q9ULX7 6/20 0.59
CA6 P23280 3/20 0.59
CA7 P43166 3/20 0.59
CA3 P07451 2/20 0.59
CYP2C19 P33261 1/20 0.59
TMPRSS6 Q8IU80 2/20 0.53
CA13 Q8N1Q1 2/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL12652094 0.82 CA2 (0.67) CA2CA9CA1CA5ACA5B
SCHEMBL4718975 0.82 F2 (0.60) CA2CA9CA1CA5ACA5B
SCHEMBL1818606 0.80 PRSS1 (0.58) F2PRSS1PRSS2PRSS3CYP2C19
SCHEMBL7106023 0.80 F2 (0.58) CA2CA9CA1CA5ACA5B
SCHEMBL423771 0.80 F2 (0.58) CA2CA9CA1CA5ACA5B
SCHEMBL176891 0.79 CA2 (1.00) CA2CA9CA1CA5ACA5B
Hydrochloric Acid SCHEMBL4176794 0.78 PRSS1 (0.56) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL1804314 0.77 CA2 (0.65) CA2CA9CA1CA5ACA5B
SCHEMBL3824136 0.77 CA2 (0.65) CA2CA9CA1CA5ACA5B
Sulfanilamide SCHEMBL8965155 0.77 CA2 (0.77) CA2CA9CA1CA5ACA5B

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-1994027958-A1 4-AMIDINOPHENYLSULPHONAMIDES FOR THE TREATMENT OF THROMBO-EMBOLITIC CONDITIONS BOEHRINGER MANNHEIM GMBH (DE) 1994-12-08 WO claimed
CN-108977482-B Preparation method of polymyxin B sulfate 浙江孚诺医药股份有限公司 2020-11-24 CN disclosed
US-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS SILICON VALLEY BANK 2008-06-05 US disclosed
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed
WO-1994027958-A1 4-AMIDINOPHENYLSULPHONAMIDES FOR THE TREATMENT OF THROMBO-EMBOLITIC CONDITIONS BOEHRINGER MANNHEIM GMBH (DE) 1994-12-08 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-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS ABCB11, SLC47A2, SLC47A1 CA2 1445/4885CA9 1871/4885CA1 4695/4885

“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.