SCHEMBL3402993

SCHEMBL3402993

COC(=O)C(C)c1cccc(N)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.60
PTGS2 P35354 1/20 0.60
KMT2A Q03164 2/20 0.46
MT-CO2 P00403 1/20 0.46
CPN1 P15169 1/20 0.45
CPB2 Q96IY4 1/20 0.45
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.41
DDX3X O00571 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL31478060 1.00 PTGS1 (0.60) PTGS1PTGS2KMT2AMT-CO2CPN1
SCHEMBL1000053 0.86 PTGS1 (0.45) PTGS1PTGS2KMT2ACPN1CPB2
SCHEMBL9158035 0.84 KMT2A (0.47) PTGS1PTGS2KMT2ACPN1CPB2
SCHEMBL9158042 0.84 KMT2A (0.47) PTGS1PTGS2KMT2ACPN1CPB2
SCHEMBL6163227 0.83 SMN1; SMN2 (0.48) PTGS1PTGS2KMT2ACPN1CPB2
SCHEMBL5796124 0.82 APP (0.47) PTGS1PTGS2KMT2ACPN1CPB2
SCHEMBL27573545 0.82 CPN1 (0.50) PTGS1PTGS2KMT2ACPN1CPB2
SCHEMBL29484096 0.81 PTGS1 (0.62) PTGS1PTGS2KMT2AMT-CO2HPGD
SCHEMBL1653533 0.81 PTGS1 (0.62) PTGS1PTGS2KMT2AMT-CO2HPGD
SCHEMBL7806911 0.81 PTGS1 (0.62) PTGS1PTGS2KMT2AMT-CO2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023143393-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海科技大学 2023-08-03 WO disclosed
CN-116514824-A Tri-ring compound, preparation method and application thereof 上海科技大学 2023-08-01 CN disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
EP-2254867-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-01 EP disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 WO disclosed
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-5919824-A Aminophenol derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-07-06 US disclosed
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed
US-4710581-A Nucleophilic substitution process ETHYL CORPORATION (US) 1987-12-01 US disclosed
US-4581463-A Nucleophilic substitution process combined with additional reaction steps ETHYL CORPORATION (US) 1986-04-08 US disclosed
EP-0077662-B1 PREPARATION OF NITROARYLACETIC ACID ESTERS AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1985-10-02 EP disclosed
EP-0077662-A1 Preparation of nitroarylacetic acid esters and derivatives thereof ETHYL CORPORATION (US) 1983-04-27 EP 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-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 PTGS1 30/4885PTGS2 219/4885KMT2A 2506/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 PTGS1 893/4885PTGS2 1158/4885KMT2A 1309/4885

“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.