SCHEMBL17446713

SCHEMBL17446713

COC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ THRB P10828 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ALOX15 P16050 1/20 0.48
▸ SLC15A1 P46059 1/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL17446739 0.89 ALDH1A1 (0.48) ALDH1A1MEN1HPGDKMT2ATHRB
Hydrochloric Acid SCHEMBL10544223 0.88 CTSL (0.56) OPRK1ALDH1A1MEN1HPGDKMT2A
SCHEMBL17534660 0.88 ALDH1A1 (0.52) ALDH1A1MEN1HPGDKMT2ATHRB
SCHEMBL17534659 0.88 ALDH1A1 (0.52) ALDH1A1MEN1HPGDKMT2ATHRB
SCHEMBL19177293 0.87 ALDH1A1 (0.60) ALDH1A1MEN1HPGDKMT2ATHRB
SCHEMBL22722647 0.86 OPRK1 (0.53) OPRK1ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL17446802 0.86 ALDH1A1 (0.50) OPRK1ALDH1A1MEN1HPGDKMT2A
SCHEMBL22301197 0.85 ALDH1A1 (0.51) ALDH1A1MEN1HPGDKMT2ASLC15A1
SCHEMBL17344012 0.85 ALDH1A1 (0.51) ALDH1A1MEN1HPGDKMT2ASLC15A1
SCHEMBL19177339 0.85 ALDH1A1 (0.65) ALDH1A1MEN1HPGDKMT2AALOX15

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-20170210778-A1 NOVEL COMPOUNDS INVIVOGEN SAS (FR) 2017-07-27 — — US disclosed
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 OPRK1 726/4885ALDH1A1 2273/4885MEN1 76/4885

“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.

Send feedback