SCHEMBL14701886

SCHEMBL14701886

Nc1ccc(C(=O)O)cc1NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
KMT2A Q03164 2/20 0.50
FABP7 O15540 2/20 0.44
FABP5 Q01469 2/20 0.44
LNPEP Q9UIQ6 2/20 0.42
HDAC1 Q13547 7/20 0.42
HDAC2 Q92769 7/20 0.42
HDAC3 O15379 6/20 0.42
ERAP2 Q6P179 1/20 0.41
CASP3 P42574 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
SCHEMBL31423769 1.00 EPHX2 (0.53) EPHX2KMT2AFABP7FABP5LNPEP
SCHEMBL29547309 1.00 EPHX2 (0.53) EPHX2KMT2AFABP7FABP5LNPEP
SCHEMBL17413389 0.91 EPHX2 (0.53) EPHX2KMT2AFABP7FABP5HDAC1
SCHEMBL25397265 0.89 EPHX2 (0.56) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL30522780 0.89 EPHX2 (0.56) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL31423768 0.88 EPHX2 (0.48) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL3209502 0.87 EPHX2 (0.57) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL570236 0.86 EPHX2 (0.53) EPHX2KMT2ACASP3
SCHEMBL29546978 0.85 EPHX2 (0.52) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL29547060 0.85 EPHX2 (0.52) EPHX2KMT2AFABP7FABP5CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117377759-A Self-purified nucleic acid-encoded libraries 约尔格·谢尔曼 2024-01-09 CN disclosed
US-20230357757-A1 SELF-PURIFIED NUCLEIC ACID ENCODED LIBRARIES PETROV, DIMITAR (CH) 2023-11-09 US disclosed
US-20160002286-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY 2016-01-07 US disclosed
US-20160002286-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY 2016-01-07 US disclosed
US-9175053-B2 Chemical preparation of ubiquitin thioesters and modifications thereof BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2015-11-03 US disclosed
US-9175053-B2 Chemical preparation of ubiquitin thioesters and modifications thereof BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2015-11-03 US disclosed
US-20130041132-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2013-02-14 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-20160002286-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF OTUB1, USP28, PTMS EPHX2 1481/4885KMT2A 738/4885FABP7 2118/4885
US-20130041132-A1 CHEMICAL PREPARATION OF UBIQUITIN THIOESTERS AND MODIFICATIONS THEREOF OTUB1, USP28, PTMS EPHX2 1481/4885KMT2A 738/4885FABP7 2118/4885

“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.