SCHEMBL3209835

SCHEMBL3209835

CCS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 19/20 0.68
ALDH1A1 P00352 1/20 0.64
NPBWR1 P48145 1/20 0.55
MCHR1 Q99705 1/20 0.55

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
SCHEMBL9805806 0.86 VCAM1 (0.65) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL1097803 0.82 VCAM1 (0.69) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL11546879 0.82 VCAM1 (0.50) VCAM1ALDH1A1
SCHEMBL30813055 0.82 VCAM1 (0.69) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL9404105 0.82 VCAM1 (0.63) VCAM1ALDH1A1NPBWR1MCHR1
Butane SCHEMBL9586852 0.82 VCAM1 (0.84) VCAM1ALDH1A1
SCHEMBL809482 0.82 VCAM1 (0.73) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL10452716 0.82 VCAM1 (0.73) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL29780388 0.82 VCAM1 (0.73) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL5471880 0.81 VCAM1 (1.00) VCAM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105566182-A Synthetic method of 2-amino-4-(ethylsulfonyl) phenol SUZHOU TIANMA SPECIALTY CHEMICALS CO LTD 2016-05-11 CN claimed
US-20180280319-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREAST CANCER UNIVERSITY OF THE SCIENCES 2018-10-04 US disclosed
CN-105566182-B A kind of 2 amino 4(Ethylsulfonyl)The synthetic method of phenol 苏州天马精细化学品股份有限公司 2018-02-13 CN disclosed
US-20170121322-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-04 US disclosed
EP-3157919-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS Bayer Pharma Aktiengesellschaft (DE) 2017-04-26 EP disclosed
CN-106573931-A Bet-protein inhibiting 3,4-dihydropyrido[2,3-b]pyrazinones with meta-substituted aromatic amino- or ether groups 拜耳医药股份有限公司 2017-04-19 CN disclosed
CN-105566182-A Synthetic method of 2-amino-4-(ethylsulfonyl) phenol SUZHOU TIANMA SPECIALTY CHEMICALS CO LTD 2016-05-11 CN disclosed
CN-105566182-A Synthetic method of 2-amino-4-(ethylsulfonyl) phenol SUZHOU TIANMA SPECIALTY CHEMICALS CO LTD 2016-05-11 CN disclosed
WO-2015193219-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
EP-2142531-B1 BENZIMIDAZOLE CANNABINOID AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-07-08 EP disclosed
EP-1809607-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-07-25 EP disclosed
WO-2006048754-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-05-11 WO disclosed
US-20060094750-A1 Sulfonyl benzimidazole derivatives KON-I KANA 2006-05-04 US disclosed
EP-0116827-B1 PROCESS FOR THE PREPARATION OF BENZOTHIAZOLES BAYER AG (DE) 1991-04-10 EP disclosed
US-4918183-A Monoazo dyes, process for their preparation, and the use thereof CIBA-GEIGY CORPORATION (US) 1990-04-17 US disclosed
US-4906740-A Monoazo dyes containing as the azo component A phenylsulfonylphenyl radical CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4808723-A Process for the preparation of benzothiazoles BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
EP-0116827-A2 Process for the preparation of benzothiazoles BAYER AG (DE) 1984-08-29 EP disclosed
EP-0010249-A2 Herbicidal agents, process for their preparation and their use in combating weeds BAYER AG (DE) 1980-04-30 EP disclosed
EP-0010250-A2 Use of Sulfonanilides in inhibition of plant growth BAYER AG (DE) 1980-04-30 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 (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-20180280319-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREAST CANCER BRCA1, ANXA5, ANXA3 VCAM1 3869/4885ALDH1A1 811/4885NPBWR1 4590/4885
US-20170121322-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BRD4, BRDT, BRD3 VCAM1 2981/4885ALDH1A1 4715/4885NPBWR1 3612/4885
US-20060094750-A1 Sulfonyl benzimidazole derivatives TRPV1, CNR2, CNR1 VCAM1 293/4885ALDH1A1 2810/4885NPBWR1 201/4885

“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.