SCHEMBL18286344

SCHEMBL18286344

CC(C)C(O)[C@](N)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
CASP3 P42574 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
EPHX2 P34913 1/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL27587689 0.90 KMT2A (0.45) KMT2AFABP5FABP7CASP3CA1
SCHEMBL27587692 0.90 KMT2A (0.45) KMT2AFABP5FABP7CASP3CA1
SCHEMBL30683563 0.89 KMT2A (0.46) KMT2AFABP5FABP7CASP3CA1
SCHEMBL27944082 0.89 KMT2A (0.46) KMT2AFABP5FABP7CASP3CA1
SCHEMBL29019477 0.89 KMT2A (0.46) KMT2AFABP5FABP7CASP3CA1
SCHEMBL29089883 0.89 KMT2A (0.46) KMT2AFABP5FABP7CASP3CA1
SCHEMBL28207071 0.88 PPARG (0.40) KMT2AFABP5FABP7CASP3
SCHEMBL4460611 0.86 FABP5 (0.44) KMT2AFABP5FABP7CASP3CA1
SCHEMBL29019478 0.86 FABP5 (0.44) KMT2AFABP5FABP7CASP3CA1
SCHEMBL30620282 0.85 KMT2A (0.43) KMT2AFABP5FABP7CASP3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858358-B2 S1PR2 antagonists and uses therefor DALHOUSIE UNIVERSITY (CA) 2020-12-08 US disclosed
US-20200347058-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2020-11-05 US disclosed
US-10487082-B2 S1PR2 antagonists and uses therefor DALHOUSIE UNIVERSITY (CA) 2019-11-26 US disclosed
US-20190169187-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2019-06-06 US disclosed
US-20190127372-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2019-05-02 US disclosed
US-20180141942-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2018-05-24 US disclosed
EP-3298014-A1 S1PR2 ANTAGONISTS AND USES THEREFOR Dalhousie University (CA) 2018-03-28 EP disclosed
WO-2016191872-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2016-12-08 WO 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 (6 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-10858358-B2 S1PR2 antagonists and uses therefor S1PR2, S1PR4, S1PR1 KMT2A 1952/4885FABP5 2016/4885FABP7 1613/4885
US-20190127372-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR1 KMT2A 848/4885FABP5 1541/4885FABP7 987/4885
US-20190169187-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR3 KMT2A 2473/4885FABP5 1628/4885FABP7 1269/4885
US-20200347058-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR1 KMT2A 848/4885FABP5 1541/4885FABP7 987/4885
US-20180141942-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR1 KMT2A 848/4885FABP5 1541/4885FABP7 987/4885
US-10487082-B2 S1PR2 antagonists and uses therefor S1PR2, S1PR4, S1PR3 KMT2A 2473/4885FABP5 1628/4885FABP7 1269/4885

“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.