SCHEMBL17446714

SCHEMBL17446714

O=C(N[C@@H](CS)C(=O)OCc1ccccc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ IDO1 P14902 2/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ MDM4 O15151 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CTRB1 P17538 2/20 0.49
▸ TNF P01375 1/20 0.48
▸ CASP3 P42574 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ TDO2 P48775 1/20 0.47

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
SCHEMBL11912033 0.89 HDAC1 (0.54) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL31000548 0.89 HDAC1 (0.54) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL28527138 0.89 HDAC1 (0.54) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL29397673 0.89 HDAC1 (0.54) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL13402442 0.89 HDAC1 (0.54) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL17446653 0.88 PTPN1 (0.48) HDAC1HDAC2MDM4TP53TNF
SCHEMBL23811055 0.88 HDAC1 (0.53) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL31348963 0.88 CASP3 (0.55) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL31348914 0.88 CASP3 (0.55) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL6588912 0.88 CASP3 (0.55) HDAC1HDAC2IDO1KMT2AMDM4

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 HDAC1 747/4885HDAC2 1296/4885IDO1 3879/4885

“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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