SCHEMBL249377

SCHEMBL249377

CS(=O)(=O)Nc1c[c]c2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.48
KDM1A O60341 1/20 0.41
PTGS2 P35354 1/20 0.41
PGR P06401 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NR3C2 P08235 2/20 0.39
ATM Q13315 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BRPF1 P55201 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HTT P42858 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL4463780 0.80 TSHR (0.39) KDM1ACYP1A2CYP2D6CYP2C9ALDH1A1
SCHEMBL27622925 0.79 BRPF1 (0.43) KEAP1PGRNR3C2ATMHSD17B1
SCHEMBL5778734 0.78 AURKA (0.45) ALDH1A1HTTAURKAKDRAURKB
SCHEMBL16320747 0.77 PTGS2 (0.42) PTGS2ATMLMNA
SCHEMBL3331314 0.73 KLK7 (0.49) KDM1ACYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29625693 0.73 CA1 (0.67) KEAP1PGRNR3C2ATMALDH1A1
SCHEMBL30186176 0.73 CA1 (0.67) KEAP1PGRNR3C2ATMALDH1A1
SCHEMBL171701 0.73 CA1 (0.67) KEAP1PGRNR3C2ATMALDH1A1
SCHEMBL1767004 0.70 TSHR (0.43) CYP1A2CYP2D6CYP2C9CASP7ALDH1A1
SCHEMBL8388156 0.70 LMNA (0.53) CA1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20160229774-A1 PROCESSES FOR MAKING CYCLOHEXANE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2016-08-11 US disclosed
US-20160229784-A1 PROCESSES FOR MAKING CYCLOHEXANE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2016-08-11 US disclosed
US-9346737-B2 Processes for making cyclohexane compounds EASTMAN CHEMICAL COMPANY (US) 2016-05-24 US disclosed
US-9340482-B2 Processes for making cyclohexane compounds EASTMAN CHEMICAL COMPANY (US) 2016-05-17 US disclosed
US-9328050-B1 Processes for making hydroxymethylbenzoic acid compounds EASTMAN CHEMICAL COMPANY (US) 2016-05-03 US disclosed
CN-103153463-B The method of recovery and recycle of ruthenium homogeneous catalyst EASTMAN CHEMICAL CO. (US) 2015-09-09 CN disclosed
WO-2015102893-A1 PROCESS FOR THE PREPARATION OF CYCLOHEXANE CARBOXYLIC ACID COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2015-07-09 WO disclosed
WO-2015102892-A1 PROCESS FOR THE PREPARATION OF AT LEAST ONE HYDROXYMETHYLCYCLOHEXANE EASTMAN CHEMICAL COMPANY (US) 2015-07-09 WO disclosed
US-20150183699-A1 PROCESSES FOR MAKING CYCLOHEXANE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2015-07-02 US disclosed
EP-1585714-A2 PROCESSES FOR THE PREPARATION OF HIGHER MOLECULAR WEIGHT KETONES EASTMAN CHEMICAL COMPANY (US) 2005-10-19 EP disclosed
WO-2005058292-A1 NEW USE IN GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2005-06-30 WO disclosed
WO-2005028406-A2 PROCESSES FOR THE PREPARATION OF HIGHER MOLECULAR WEIGHT KETONES EASTMAN CHEMICAL COMPANY (US) 2005-03-31 WO disclosed
WO-2005005361-A1 PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES EASTMAN CHEMICAL COMPANY (US) 2005-01-20 WO disclosed
US-20050004401-A1 Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones EASTMAN CHEMICAL COMPANY 2005-01-06 US disclosed
US-20040122261-A1 Processes for the preparation of higher molecular weight ketones MCCUSKER-ORTH JENNIFER ELLEN (US) 2004-06-24 US disclosed
US-20040053890-A1 Naphthalene derivatives NOVARTIS AG (CH) 2004-03-18 US disclosed
US-20040044229-A1 Process for alpha,beta-dihydroxyalkenes and derivatives HEMBRE ROBERT THOMAS (US) 2004-03-04 US disclosed
EP-1339663-A2 NAPHTHALENE DERIVATIVES Novartis AG (CH) 2003-09-03 EP disclosed
WO-2002042248-A2 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2002-05-30 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 (7 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-20040044229-A1 Process for alpha,beta-dihydroxyalkenes and derivatives CYP8B1, EBP, DEGS1 KEAP1 1859/4885KDM1A 2284/4885PTGS2 1071/4885
US-20160229774-A1 PROCESSES FOR MAKING CYCLOHEXANE COMPOUNDS DHPS, HPD, HAAO KEAP1 1153/4885KDM1A 605/4885PTGS2 364/4885
US-20040053890-A1 Naphthalene derivatives CYP1A1, SULT1E1, CYP2F1 KEAP1 687/4885KDM1A 3021/4885PTGS2 803/4885
US-20050004401-A1 Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones EBP, CYP8B1, BCKDK KEAP1 251/4885KDM1A 1542/4885PTGS2 1082/4885
US-20150183699-A1 PROCESSES FOR MAKING CYCLOHEXANE COMPOUNDS DHPS, HPD, HAAO KEAP1 1153/4885KDM1A 605/4885PTGS2 364/4885
US-20040122261-A1 Processes for the preparation of higher molecular weight ketones AKR1D1, ADH1C, AKR1C2 KEAP1 314/4885KDM1A 1947/4885PTGS2 1330/4885
US-20160229784-A1 PROCESSES FOR MAKING CYCLOHEXANE COMPOUNDS DHPS, HPD, HAAO KEAP1 1153/4885KDM1A 605/4885PTGS2 364/4885

“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.