SCHEMBL1157557

SCHEMBL1157557

O=C(O)Cc1ccccc1-c1ccccc1NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
KMT2A Q03164 2/20 0.51
CHRM3 P20309 6/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CASP3 P42574 2/20 0.44
ENPP2 Q13822 1/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL25307975 0.93 EPHX2 (0.54) EPHX2KMT2ACHRM3CHRM2CHRM1
SCHEMBL525568 0.84 KMT2A (0.58) EPHX2KMT2ACASP3FABP7FABP5
SCHEMBL9171875 0.82 EPHX2 (0.52) EPHX2KMT2ACASP3ENPP2FABP7
SCHEMBL9588677 0.82 EPHX2 (0.56) EPHX2KMT2ACHRM3CASP3FABP7
SCHEMBL1157555 0.81 EPHX2 (0.53) EPHX2KMT2ACHRM3CHRM2CHRM1
SCHEMBL8696511 0.81 KMT2A (0.61) EPHX2KMT2ACHRM3CHRM2CHRM1
Acetic Acid SCHEMBL1157575 0.80 CHRM3 (0.58) EPHX2KMT2ACHRM3CHRM2CHRM1
SCHEMBL26140029 0.80 KMT2A (0.59) EPHX2KMT2ACASP3FABP7FABP5
SCHEMBL29401765 0.80 EPHX2 (0.60) EPHX2KMT2ACHRM3CHRM2CHRM1
SCHEMBL29913938 0.80 EPHX2 (0.60) EPHX2KMT2ACHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039714-A1 Probes, Systems, and Methods for Drug Discovery VTVX HOLDINGS I LLC 2011-02-17 US disclosed
EP-1383799-A1 PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY TransTech Pharma Inc. (US) 2004-01-28 EP disclosed
WO-2003084997-A1 PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY TRANSTECH PHARMA, INC. (US) 2003-10-16 WO disclosed
US-20030125315-A1 Probes, systems, and methods for drug discovery TRANSTECH PHARMA, INC. 2003-07-03 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-20030125315-A1 Probes, systems, and methods for drug discovery ABCG2, EZR, PAICS EPHX2 158/4885KMT2A 4273/4885CHRM3 1528/4885

“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.