SCHEMBL1707322

SCHEMBL1707322

CCOC(=O)N=S(C)(=O)c1cccc(CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
CDK1 P06493 6/20 0.38
CDK2 P24941 6/20 0.38
KDR P35968 6/20 0.38
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA2 P00918 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
MEP1B Q16820 1/20 0.35

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
SCHEMBL19277128 0.88 POLB (0.43) POLBCYP4F2CYP4A11HPGDRAB9A
SCHEMBL10231885 0.87 POLB (0.42) POLBCYP4F2CYP4A11HPGDRAB9A
SCHEMBL1706644 0.87 POLB (0.42) POLBCYP4F2CYP4A11HPGDRAB9A
SCHEMBL17501270 0.84 POLB (0.44) POLBHPGDRAB9ACDK1CDK2
SCHEMBL1706529 0.83 POLB (0.46) POLBHPGDRAB9A
SCHEMBL1706771 0.83 POLB (0.49) POLBCYP4F2CYP4A11HPGDRAB9A
SCHEMBL13784494 0.82 ALDH1A1 (0.39) CYP4F2CYP4A11RAB9ACA2
SCHEMBL14495875 0.81 POLB (0.50) POLBHPGDRAB9ACDK1CDK2
SCHEMBL2464413 0.81 POLB (0.50) POLBHPGDRAB9ACDK1CDK2
SCHEMBL12390716 0.81 POLB (0.50) POLBHPGDRAB9ACDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247579-B1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS Bayer Pharma AG (DE) 2012-04-18 EP disclosed
US-7863283-B2 Sulphoximine-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2011-01-04 US disclosed
US-7863283-B2 Sulphoximine-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2011-01-04 US disclosed
EP-2247579-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-11-10 EP disclosed
US-20090186911-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNO-MODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-07-23 US disclosed
US-20090186911-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNO-MODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-07-23 US disclosed
WO-2009089851-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-23 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-20090186911-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNO-MODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS IFNG, TPMT, IRF3 POLB 2252/4885CYP4F2 314/4885CYP4A11 442/4885

“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.