SCHEMBL1074809

SCHEMBL1074809

O=S(=O)(Nc1nccs1)Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 4/20 0.48
▸ SCN9A Q15858 9/20 0.44
▸ SCN5A Q14524 1/20 0.42
▸ CTSA P10619 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.37

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
SCHEMBL1029917 0.84 EGFR (0.54) SLC40A1CTSADYRK1AEGFRFGFR1
SCHEMBL1034313 0.81 SLC40A1 (0.49) SLC40A1DYRK1AKDRPTGES2
SCHEMBL1032586 0.79 SIRT2 (0.51) SCN9ACTSAEGFRFGFR1KDR
SCHEMBL1034665 0.79 CTSA (0.41) SLC40A1CTSAXDHDYRK1A
SCHEMBL17772319 0.77 EGFR (0.48) EGFRFGFR1KDR
SCHEMBL1031607 0.76 SLC40A1 (0.47) SLC40A1SCN9AXDHDYRK1APTGES2
SCHEMBL1034663 0.73 SLC40A1 (0.45) SLC40A1XDHDYRK1APTGES2
SCHEMBL1035231 0.73 SLC40A1 (0.44) SLC40A1SCN9AXDHDYRK1APTGES2
SCHEMBL27830708 0.72 CTSA (0.40) SLC40A1CTSAXDHDYRK1A
SCHEMBL1034300 0.71 GRM5 (0.44) SLC40A1XDHDYRK1AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 — — EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 — — EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 — — EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SLC40A1 2835/4885SCN9A 3526/4885SCN5A 1781/4885

“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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