SCHEMBL1473346

SCHEMBL1473346

[N-]=[N+]=C(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
AKR1B1 P15121 1/20 0.52
CTBP2 P56545 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
EPHX2 P34913 1/20 0.42
PAM P19021 2/20 0.41
FFAR1 O14842 1/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL9202972 0.84 CA2 (0.55) CTBP2MEN1KMT2AFNTAFNTB
SCHEMBL8749069 0.84 CES1 (0.48) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL21758207 0.84 HIF1A (0.49) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL28703142 0.82 CES1 (0.47) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL16401709 0.80 KEAP1 (0.55) KMT2AHDAC8HDAC6ALDH1A1MAPK1
SCHEMBL27849648 0.80 ALDH1A1 (0.44) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL8749208 0.80 KEAP1 (0.50) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL28667928 0.80 CYP19A1 (0.46) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL13337400 0.78 ALDH1A1 (0.53) MEN1KMT2AHDAC8HDAC6L3MBTL1
SCHEMBL12486896 0.77 HDAC1 (0.58) HDAC8HDAC6L3MBTL1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315793-B Method for preparing S-diazoalkane compound by utilizing micro-channel reaction device 南京工业大学 2023-05-23 CN claimed
EP-0923540-B1 SYNTHESIS OF A HYDRAZONE BETA-KETO ESTER BY THE REACTION WITH A DIAZO ESTER MONSANTO TECHNOLOGY LLC (US) 2002-03-27 EP claimed
CN-114315793-B Method for preparing S-diazoalkane compound by utilizing micro-channel reaction device 南京工业大学 2023-05-23 CN disclosed
EP-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 EP disclosed
US-20110152326-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS HANAZAWA TAKESHI 2011-06-23 US disclosed
US-7915448-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2011-03-29 US disclosed
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS PFIZER INC 2010-02-11 US disclosed
US-7622589-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2009-11-24 US disclosed
EP-1866278-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2007-12-19 EP disclosed
EP-1861359-A1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN Pfizer, Inc. (US) 2007-12-05 EP disclosed
WO-2006097817-A9 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC (JP) 2006-12-07 WO disclosed
WO-2006097817-A1 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC. (JP) 2006-09-21 WO disclosed
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP disclosed
CN-1087092-A Novel 7 beta-substituted-4-aza-5 alpha-androstan-3-ones as 5 alpha-reductase inhibitors MERCK & CO INC (US) 1994-05-25 CN disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
US-4525582-A Silyl, benzyl, p-nitrobenyl, or methyl esters of diazoacetate, a synthon used in the conversion of penicillin to thienamycin MERCK & CO., INC. (US) 1985-06-25 US 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-20110152326-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS OPRL1, CNR1, TRPV1 CES1 494/4885CES2 739/4885AKR1B1 626/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 CES1 657/4885CES2 943/4885AKR1B1 756/4885

“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.