SCHEMBL17446744

SCHEMBL17446744

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SLC15A1 P46059 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CTSB P07858 2/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ MMP9 P14780 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43
▸ MME P08473 2/20 0.42
▸ ACE P12821 2/20 0.42
▸ CPA1 P15085 2/20 0.42

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
SCHEMBL17446802 0.90 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDSLC15A1
SCHEMBL17534659 0.88 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHPGDSLC15A1
SCHEMBL17534660 0.88 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHPGDSLC15A1
SCHEMBL19177079 0.85 MEN1 (0.56) ALDH1A1MEN1KMT2AHPGDTHRB
SCHEMBL10800012 0.84 SLC15A1 (0.51) ALDH1A1MEN1KMT2AHPGDSLC15A1
SCHEMBL10800005 0.84 SLC15A1 (0.51) ALDH1A1MEN1KMT2AHPGDSLC15A1
SCHEMBL17446739 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHPGDTHRB
SCHEMBL17446713 0.83 OPRK1 (0.55) ALDH1A1MEN1KMT2AHPGDSLC15A1
SCHEMBL8724151 0.83 MEN1 (0.50) ALDH1A1MEN1KMT2AHPGDSLC15A1
SCHEMBL10799969 0.83 MEN1 (0.50) ALDH1A1MEN1KMT2AHPGDSLC15A1

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 76/4885KMT2A 4320/4885

“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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