Sugi Predict

Sugi Predict / Compounds / SCHEMBL4050412

SCHEMBL4050412

SCHEMBL4050412

Nc1ccc(NS(=O)(=O)c2ccccc2)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.68
▸ HSP90AA1 P07900 1/20 0.68
▸ HSP90AB1 P08238 1/20 0.68
▸ GAA P10253 5/20 0.56
▸ HTT P42858 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ GFER P55789 1/20 0.56
▸ APOBEC3G Q9HC16 1/20 0.56
▸ KEAP1 Q14145 1/20 0.56
▸ HTR6 P50406 2/20 0.55
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ POLB P06746 1/20 0.51
▸ CRHBP P24387 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
SCHEMBL3262497 0.83 ERBB2 (0.71) ERBB2HSP90AA1HSP90AB1GAAHTT
SCHEMBL8307085 0.82 CRHBP (0.62) ERBB2HSP90AA1HSP90AB1GAAHTT
SCHEMBL6807990 0.81 HSD17B2 (0.69) ERBB2HSP90AA1HSP90AB1GAAHTT
SCHEMBL18161437 0.81 KEAP1 (0.56) GAAHTTALDH1A1KEAP1HTR6
SCHEMBL12838827 0.81 ERBB2 (1.00) ERBB2HSP90AA1HSP90AB1GAAHTT
SCHEMBL6832818 0.80 KMT2A (0.71) GAAHTTALDH1A1GFERKEAP1
SCHEMBL17978501 0.79 POLB (0.62) ERBB2HSP90AA1HSP90AB1GAAHTT
SCHEMBL752345 0.79 GAA (0.80) ERBB2HSP90AA1HSP90AB1GAAHTT
SCHEMBL14428338 0.79 MAPT (0.75) ERBB2HSP90AA1HSP90AB1GAAHTT
SCHEMBL11498348 0.77 CYTH2 (0.55) ERBB2HSP90AA1HSP90AB1GAAHTT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6733540-B2 FOR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2004-05-11 — — US claimed
US-20020100125-A1 Use of 2-(sulphonylamino) phenols as couplers in oxidation colouring L'OREAL (FR) 2002-08-01 — — US claimed
EP-1205176-A1 Use of 2-sulphonylaminophenols as coupling agents in oxidation dyeing L'OREAL (FR) 2002-05-15 — — EP claimed
CN-107428747-A Substituted pyridobenzodiazepine ketone derivative and use thereof 拜耳制药股份公司 2017-12-01 — — CN disclosed
EP-3223821-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-04 — — EP disclosed
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-07 — — US disclosed
WO-2016083276-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-02 — — WO disclosed
EP-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 — — EP disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 — — US disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 — — EP disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 — — US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 — — US disclosed
US-6733540-B2 FOR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2004-05-11 — — US disclosed
US-20020100125-A1 Use of 2-(sulphonylamino) phenols as couplers in oxidation colouring L'OREAL (FR) 2002-08-01 — — US disclosed
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 — — EP disclosed
EP-1205176-A1 Use of 2-sulphonylaminophenols as coupling agents in oxidation dyeing L'OREAL (FR) 2002-05-15 — — EP disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 — — EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 — — 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 (3 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-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 ERBB2 3/4885HSP90AA1 490/4885HSP90AB1 361/4885
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 ERBB2 476/4885HSP90AA1 1591/4885HSP90AB1 1504/4885
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BDKRB2, BDKRB1, PDGFRB ERBB2 183/4885HSP90AA1 3584/4885HSP90AB1 2651/4885

“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.