SCHEMBL12377380

SCHEMBL12377380

CCS(=O)(CC)=NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ F2 P00734 2/20 0.50
▸ PRSS1 P07477 2/20 0.50
▸ PRSS2 P07478 2/20 0.50
▸ PRSS3 P35030 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP2C9 P11712 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA3 P07451 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA5A P35218 1/20 0.45

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
SCHEMBL20187458 0.80 ALDH1A1 (0.53) GAALMNAALDH1A1SMN1; SMN2F2
SCHEMBL9738285 0.78 F2 (0.53) GAALMNAALDH1A1SMN1; SMN2F2
SCHEMBL135563 0.78 F2 (0.53) GAALMNAALDH1A1SMN1; SMN2F2
SCHEMBL5886057 0.77 ALDH1A1 (0.53) GAALMNAALDH1A1SMN1; SMN2F2
SCHEMBL16042071 0.75 F2 (0.50) GAALMNAALDH1A1SMN1; SMN2F2
SCHEMBL5138891 0.75 F2 (0.59) GAALMNAALDH1A1SMN1; SMN2F2
SCHEMBL9385131 0.73 F2 (0.48) GAALMNAALDH1A1SMN1; SMN2F2
SCHEMBL8789808 0.73 ALDH1A1 (0.54) GAALMNAALDH1A1SMN1; SMN2F2
SCHEMBL127246 0.73 F2 (0.57) GAALMNAALDH1A1SMN1; SMN2F2
SCHEMBL663730 0.73 CYP2C19 (0.59) GAALMNAALDH1A1SMN1; SMN2F2

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
US-8003787-B2 Sulphoximine-substituted quinoline and quinazoline derivatives as kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2011-08-23 — — US disclosed
US-8003787-B2 Sulphoximine-substituted quinoline and quinazoline derivatives as kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2011-08-23 — — US disclosed
US-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER HEALTHCARE LLC (DE) 2009-09-10 — — US disclosed
US-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER HEALTHCARE LLC (DE) 2009-09-10 — — US disclosed
WO-2008141843-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINAZOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-27 — — 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-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MAP4K2, MAP3K20, MAP3K2 GAA 1039/4885LMNA 3935/4885ALDH1A1 3510/4885

“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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