SCHEMBL17446802

SCHEMBL17446802

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SLC15A1 P46059 1/20 0.50
▸ THRB P10828 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ OPRK1 P41145 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KYNU Q16719 1/20 0.42
▸ CTSK P43235 2/20 0.42
▸ CAPN1 P07384 1/20 0.41

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
SCHEMBL10800005 0.94 SLC15A1 (0.51) ALDH1A1MEN1HPGDKMT2ASLC15A1
SCHEMBL10800012 0.94 SLC15A1 (0.51) ALDH1A1MEN1HPGDKMT2ASLC15A1
SCHEMBL11283383 0.91 CTSL (0.51) ALDH1A1MEN1HPGDKMT2ASLC15A1
SCHEMBL17534660 0.91 ALDH1A1 (0.52) ALDH1A1MEN1HPGDKMT2ASLC15A1
SCHEMBL17534659 0.91 ALDH1A1 (0.52) ALDH1A1MEN1HPGDKMT2ASLC15A1
SCHEMBL17446744 0.90 ALDH1A1 (0.50) ALDH1A1MEN1HPGDKMT2ASLC15A1
Hydrochloric Acid SCHEMBL11599047 0.90 CTSL (0.50) ALDH1A1MEN1HPGDKMT2ASLC15A1
SCHEMBL17446739 0.86 ALDH1A1 (0.48) ALDH1A1MEN1HPGDKMT2ATHRB
SCHEMBL8724151 0.86 MEN1 (0.50) ALDH1A1MEN1HPGDKMT2ASLC15A1
SCHEMBL10799969 0.86 MEN1 (0.50) ALDH1A1MEN1HPGDKMT2ASLC15A1

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 ALDH1A1 2273/4885MEN1 76/4885HPGD 2769/4885

“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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