SCHEMBL22722647

SCHEMBL22722647

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KLK5 Q9Y337 1/20 0.47
▸ MMP1 P03956 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL30538846 0.91 ACE (0.49) OPRK1MMP1MMP3MMP9CTSC
SCHEMBL30538864 0.91 ACE (0.49) OPRK1MMP1MMP3MMP9CTSC
SCHEMBL22604579 0.89 OPRK1 (0.55) OPRK1ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL21339517 0.89 OPRK1 (0.55) OPRK1ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL22349744 0.89 OPRK1 (0.55) OPRK1ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL17446713 0.86 OPRK1 (0.55) OPRK1ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL30565197 0.84 LTA4H (0.48) ALDH1A1CTSSCTSK
SCHEMBL29755521 0.84 ACE (0.55) MMP1MMP3HDAC3HDAC4HDAC1
SCHEMBL30291613 0.83 MMP1 (0.53) OPRK1MMP1MMP3MMP9HDAC3
SCHEMBL17254256 0.82 TDP1 (0.56) OPRK1KLK5MMP1MMP3MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851134-B2 Method for preparing cyclopeptide NATIONAL TSING HUA UNIVERSITY (TW) 2020-12-01 — — US 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-10851134-B2 Method for preparing cyclopeptide PPIB, PPIA, PPIL1 OPRK1 4213/4885ALDH1A1 2398/4885THRB 3971/4885

“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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