SCHEMBL4615047

SCHEMBL4615047

O=S(=O)(Cl)c1cc(Cl)ccc1S

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.48
MCL1 Q07820 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
S100A4 P26447 1/20 0.37
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
P2RX1 P51575 1/20 0.34
AKR1B1 P15121 1/20 0.33

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
SCHEMBL1806166 0.81 MCL1 (0.38) TRPV4MCL1ALDH1A1TSHRL3MBTL1
SCHEMBL1806907 0.81 CA1 (0.46) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL196679 0.77 TRPV4 (0.52) TRPV4MCL1ALDH1A1TSHRL3MBTL1
SCHEMBL29386495 0.77 MCL1 (0.55) TRPV4MCL1ALDH1A1TSHRL3MBTL1
SCHEMBL198172 0.77 MCL1 (0.55) TRPV4MCL1ALDH1A1TSHRL3MBTL1
SCHEMBL4615229 0.77 GLA (0.37) TRPV4MCL1TSHRS100A4GAA
SCHEMBL27939834 0.77 KMT2A (0.36) TRPV4ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL533050 0.76 TRPV4 (0.50) TRPV4MCL1ALDH1A1TSHRL3MBTL1
SCHEMBL28819768 0.74 TSHR (0.50) TRPV4MCL1ALDH1A1TSHRL3MBTL1
SCHEMBL3770284 0.74 TRPV4 (0.48) TRPV4MCL1ALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP disclosed
US-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US disclosed
EP-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP disclosed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US disclosed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 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-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 TRPV4 3798/4885MCL1 3915/4885ALDH1A1 277/4885

“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.