SCHEMBL4663300

SCHEMBL4663300

COc1ccc2c([c]c(C)n2C(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 6/20 0.62
▸ AKR1C2 P52895 5/20 0.62
▸ PTGS2 P35354 8/20 0.55
▸ PTGS1 P23219 6/20 0.55
▸ AR P10275 2/20 0.55
▸ AKR1C4 P17516 2/20 0.55
▸ AKR1C1 Q04828 2/20 0.55
▸ ABCB1 P08183 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ PTGES O14684 1/20 0.55
▸ ABCC3 O15438 1/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ MT-CO2 P00403 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ALB P02768 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ ALOX5 P09917 1/20 0.55
▸ ADORA3 P0DMS8 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
SCHEMBL8354825 0.92 AKR1C3 (0.51) AKR1C3AKR1C2PTGS2PTGS1AR
SCHEMBL8354130 0.87 LMNA (0.54) AKR1C3AKR1C2PTGS2PTGS1AR
SCHEMBL4377895 0.84 AKR1C3 (0.57) AKR1C3AKR1C2PTGS2
SCHEMBL5554558 0.84 AKR1C3 (0.47) AKR1C3AKR1C2PTGS2PTGS1PPARG
SCHEMBL8360216 0.82 CNR2 (0.46) AKR1C3AKR1C2PTGS2AKR1C4AKR1C1
SCHEMBL10771271 0.78 AKR1C3 (0.56) AKR1C3AKR1C2PTGS2PTGS1AR
SCHEMBL11037919 0.77 AKR1C3 (1.00) AKR1C3AKR1C2PTGS2PTGS1AR
SCHEMBL29481380 0.77 AKR1C3 (1.00) AKR1C3AKR1C2PTGS2PTGS1AR
SCHEMBL1101913 0.76 PTGS2 (0.71) AKR1C3AKR1C2PTGS2PTGS1AR
SCHEMBL15684644 0.74 AKR1C3 (0.77) AKR1C3AKR1C2PTGS2PTGS1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057139-B1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC (US) 2013-09-04 — — EP claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 — — US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 — — EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 — — US claimed
EP-0237495-B1 HALOGENIDES OF THE ESTER OF 2,N,N,N-DIMETHYL-ALKYL-AMINO-ETHANOL WITH SUBSTITUTED ACETIC ACID AND PHARMACEUTICAL COMPOSITIONS HAVING ANTIINFLAMMATORY AND ANTISEPTIC ACTIVITIES CONTAINING SAME Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1990-09-26 — — EP claimed
EP-0195582-B1 5-AMINOSALICYLIC ACID DERIVATIVES OF NON-STEROIDAL ANTIINFLAMMATORY ACIDS SMITH KLINE DAUELSBERG GmbH (DE) 1990-01-24 — — EP claimed
EP-0237495-A2 Halogenides of the ester of 2,N,N,N-dimethyl-alkyl-amino-ethanol with substituted acetic acid and pharmaceutical compositions having antiinflammatory and antiseptic activities containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1987-09-16 — — EP claimed
WO-1986005485-A1 AMIDES OF NON-STEROIDAL ANTI-INFLAMMATORY CARBOXYLIC ACIDS SMITH KLINE DAUELSBERG GMBH (DE) 1986-09-25 — — WO claimed
JP-62096480-A — — None — — JP disclosed
JP-60051188-A — — None — — JP disclosed
WO-2012142208-A1 BIFUNCTIONAL AKR1C3 INHIBITORS/ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-18 — — WO disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 — — US disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 — — EP disclosed
EP-0195582-A1 5-Aminosalicylic acid derivatives of non-steroidal antiinflammatory acids SMITH KLINE DAUELSBERG GmbH (DE) 1986-09-24 — — EP disclosed
EP-0163286-A2 Acylated sugars, method for their preparation and their use CIBA-GEIGY AG (CH) 1985-12-04 — — EP disclosed
JP-S6051188-A NOVEL 1,2,4-OXADIAZOLE DERIVATIVE SUMITOMO CHEM CO LTD 1985-03-22 — — JP disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 — — EP disclosed
JP-S0651188-A — — 0001-01-01 — — JP 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 AKR1C3 1354/4885AKR1C2 2018/4885PTGS2 4159/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 AKR1C3 1354/4885AKR1C2 2018/4885PTGS2 4159/4885

“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.

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