SCHEMBL13951713

SCHEMBL13951713

O=C(Nc1ncc([SH](=O)=O)s1)c1cc(Cl)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 5/20 0.58
▸ P2RX1 P51575 8/20 0.51
▸ TMPRSS4 Q9NRS4 7/20 0.50
▸ P2RX4 Q99571 4/20 0.50
▸ P2RX7 Q99572 4/20 0.50
▸ STAT3 P40763 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ TAS1R2 Q8TE23 1/20 0.44

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
SCHEMBL13907151 0.85 STAT3 (0.64) KCNMA1P2RX1TMPRSS4STAT3
SCHEMBL30472740 0.84 KCNMA1 (0.64) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL10114085 0.82 KCNMA1 (0.61) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL13524051 0.82 KCNMA1 (0.61) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL13907159 0.82 STAT3 (0.61) STAT3KDR
SCHEMBL13951816 0.82 KCNMA1 (0.48) KCNMA1STAT3
SCHEMBL24823416 0.79 KCNMA1 (0.57) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL13055666 0.79 KCNMA1 (0.57) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL24460244 0.79 KCNMA1 (0.57) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL17770446 0.79 TMPRSS4 (0.59) KCNMA1P2RX1TMPRSS4P2RX4P2RX7

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-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-17 — — US disclosed
US-8124632-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2012-02-28 — — US disclosed
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. 2009-02-05 — — 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 (2 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-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC KCNMA1 3670/4885P2RX1 4408/4885TMPRSS4 72/4885
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC KCNMA1 3670/4885P2RX1 4408/4885TMPRSS4 72/4885

“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.

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