SCHEMBL6129052

SCHEMBL6129052

COc1ccc(Sc2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.78
CA1 P00915 5/20 0.78
CA2 P00918 5/20 0.78
PARP4 Q9UKK3 2/20 0.78
PARP1 P09874 2/20 0.78
PARP2 Q9UGN5 1/20 0.78
PTGIR P43119 1/20 0.69
CHEK2 O96017 2/20 0.56
MAP4K4 O95819 1/20 0.55
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
PARP15 Q460N3 1/20 0.53
PARP14 Q460N5 1/20 0.53
PARP16 Q8N5Y8 1/20 0.53
PARP11 Q9NR21 1/20 0.53
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 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
SCHEMBL201761 0.88 PARP10 (1.00) PARP10CA1CA2PARP4PARP1
Hydrochloric Acid SCHEMBL4376056 0.86 PARP10 (0.95) PARP10CA1CA2PARP4PARP1
Hydrochloric Acid SCHEMBL408766 0.86 PARP10 (0.95) PARP10CA1CA2PARP4PARP1
SCHEMBL6932815 0.83 CA1 (0.77) PARP10CA1CA2PARP4PARP1
SCHEMBL5451478 0.83 HPGD (0.73) PARP10CA1CA2PARP4PARP1
Acetic Acid SCHEMBL28396208 0.82 PARP10 (0.88) PARP10CA1CA2PARP4PARP1
SCHEMBL7442028 0.82 PARP10 (0.88) PARP10CA1CA2PARP4PARP1
SCHEMBL27571315 0.82 PARP10 (0.88) PARP10CA1CA2PARP4PARP1
SCHEMBL5836337 0.82 PARP10 (1.00) PARP10CA1CA2PARP4PARP1
SCHEMBL5788625 0.81 PTGIR (1.00) PARP10CA1CA2PARP4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005047237-A1 METHOD FOR SYNTHESISING DIARYL SULPHIDE COMPOUNDS IN A SOLID PHASE GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-05-26 WO claimed
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-08-30 US disclosed
US-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS U.S. DEPARTMENT OF ENERGY 2018-12-27 US disclosed
WO-2005047237-A1 METHOD FOR SYNTHESISING DIARYL SULPHIDE COMPOUNDS IN A SOLID PHASE GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-05-26 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 (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-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS TST, CBS, CRY2 PARP10 1505/4885CA1 1959/4885CA2 1285/4885
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods TST, CBS, CRY2 PARP10 1505/4885CA1 1959/4885CA2 1285/4885

“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.