SCHEMBL17446669

SCHEMBL17446669

O=C(CNC(=O)[C@@H](CSC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ IDO1 P14902 1/20 0.46
▸ SLC17A5 Q9NRA2 1/20 0.46
▸ PTPN1 P18031 4/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ TNF P01375 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL17446645 0.90 HDAC1 (0.57) HDAC1HDAC2IDO1SLC17A5HDAC3
SCHEMBL17446822 0.87 PTPN1 (0.45) HDAC1HDAC2PTPN1TNFCYP1A2
SCHEMBL17446719 0.87 PTPN1 (0.48) HDAC1HDAC2PTPN1TNF
SCHEMBL17446655 0.86 HDAC1 (0.50) HDAC1HDAC2IDO1SLC17A5PTPN1
SCHEMBL29480443 0.85 CTSK (0.58) PTPN1
SCHEMBL13094797 0.84 PTPN1 (0.46) HDAC1HDAC2PTPN1TNF
SCHEMBL17446836 0.82 PPARA (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL30385094 0.81 PTPN1 (0.59) HDAC1HDAC2PTPN1TNF
SCHEMBL24235686 0.81 PTPN1 (0.54) HDAC1HDAC2PTPN1TNF
SCHEMBL23463497 0.81 TNF (0.51) HDAC1HDAC2IDO1PTPN1TNF

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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