SCHEMBL17446830

SCHEMBL17446830

COC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.53
▸ KMT2A Q03164 1/20 0.50
▸ CASP3 P42574 4/20 0.48
▸ TLR2 O60603 2/20 0.45

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
SCHEMBL29412684 0.93 PTPN1 (0.53) PTPN1KMT2ACASP3TLR2
SCHEMBL31560034 0.93 PTPN1 (0.53) PTPN1KMT2ACASP3TLR2
SCHEMBL13658468 0.91 KMT2A (0.56) PTPN1KMT2ACASP3TLR2
SCHEMBL17826082 0.91 KMT2A (0.56) PTPN1KMT2ACASP3TLR2
SCHEMBL29400679 0.91 KMT2A (0.56) PTPN1KMT2ACASP3TLR2
SCHEMBL12928621 0.91 KMT2A (0.56) PTPN1KMT2ACASP3TLR2
SCHEMBL13296556 0.91 PTPN1 (0.52) PTPN1KMT2ACASP3TLR2
SCHEMBL14573312 0.91 PTPN1 (0.52) PTPN1KMT2ACASP3TLR2
SCHEMBL17446690 0.88 PTPN1 (0.56) PTPN1KMT2ACASP3
SCHEMBL11949183 0.87 CASP3 (0.47) KMT2ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210778-A1 NOVEL COMPOUNDS INVIVOGEN SAS (FR) 2017-07-27 — — US disclosed
WO-2016008946-A1 NOVEL COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2016-01-21 — — WO disclosed
EP-2975046-A1 Novel compounds The Provost, Fellows, Foundation Scholars, and The Other Members of Board, of The College of The Holy and Undivided Trinity of Queen Elizabeth (IE) 2016-01-20 — — EP 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-20170210778-A1 NOVEL COMPOUNDS F12, C1R, F11 PTPN1 2412/4885KMT2A 4320/4885CASP3 2948/4885

“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.

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