SCHEMBL5594950

SCHEMBL5594950

NCC(=O)NC(Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
ACE P12821 3/20 0.51
HPGDS O60760 3/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
CHRND Q07001 6/20 0.47
CHRNA1 P02708 2/20 0.47
CHRNG P07510 2/20 0.47
CHRNB1 P11230 2/20 0.47
GRIA1 P42261 2/20 0.46

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
SCHEMBL4386989 1.00 PTPN2 (0.52) PTPN2PTPN1ACEHPGDSCA12
Hydrochloric Acid SCHEMBL12469709 0.98 PTPN2 (0.51) PTPN2PTPN1ACEHPGDSCA12
SCHEMBL26605060 0.90 OPRD1 (0.48) PTPN2PTPN1ACEHPGDSCHRND
SCHEMBL26605068 0.90 OPRD1 (0.48) PTPN2PTPN1ACEHPGDSCHRND
SCHEMBL30316218 0.89 PTPN1 (0.58) PTPN2PTPN1ACECHRNDCHRNA1
SCHEMBL6757142 0.87 PTPN2 (0.52) PTPN2PTPN1ACEHPGDSCA12
SCHEMBL7110134 0.87 ACE (0.60) ACECA1CHRNDCHRNA1CHRNG
SCHEMBL3459805 0.87 ACE (0.60) ACECA1CHRNDCHRNA1CHRNG
SCHEMBL7110125 0.87 ACE (0.60) ACECA1CHRNDCHRNA1CHRNG
SCHEMBL479126 0.87 ACE (0.60) ACECA1CHRNDCHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298491-A Derivatives of endogenous mediators, their salts, method of preparation, applications and compositions in which they are present IMMUNOTECH (FR) 1994-03-29 US claimed
US-9169295-B2 Macrocycles and macrocycle stabilized peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
EP-2627662-B1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-24 US disclosed
EP-1441724-B8 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS SERONO LAB (CH) 2007-10-17 EP disclosed
EP-1441724-B1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS APPLIED RESEARCH SYSTEMS (AN) 2007-09-05 EP disclosed
EP-1282418-B1 USE OF PYRAZOLE DERIVATIVES FOR TREATING INFERTILITY APPLIED RESEARCH SYSTEMS (AN) 2005-08-17 EP disclosed
EP-1441724-A1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS Applied Research Systems ARS Holding S.A. (AN) 2004-08-04 EP disclosed
WO-2003026649-A1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-04-03 WO disclosed
EP-1282418-A2 USE OF PYRAZOLE DERIVATIVES FOR TREATING INFERTILITY Serono Reproductive Biology Institute, Inc. (US) 2003-02-12 EP disclosed
WO-2001087287-A2 USE OF PYRAZOLE DERIVATIVES FOR TREATING INFERTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-11-22 WO disclosed
EP-0457701-B1 Derivatives of endogenous mediators, their salts, process for preparation, application and compositions containing them IMMUNOTECH SA (FR) 1995-02-22 EP disclosed
US-5298491-A Derivatives of endogenous mediators, their salts, method of preparation, applications and compositions in which they are present IMMUNOTECH (FR) 1994-03-29 US disclosed
EP-0457701-A1 Derivatives of endogenous mediators, their salts, process for preparation, application and compositions containing them IMMUNOTECH S.A. (FR) 1991-11-21 EP disclosed
US-4818683-A Immunoassay for monoamines IMMUNOTECH (FR) 1989-04-04 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 (1 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-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES PTMS, VIP, MTPN PTPN2 2527/4885PTPN1 2977/4885ACE 1283/4885

“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.