SCHEMBL29498151

SCHEMBL29498151

CCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BIRC2 Q13490 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ POLB P06746 1/20 0.58
▸ HDAC3 O15379 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ OPRK1 P41145 1/20 0.55
▸ ERAP2 Q6P179 2/20 0.55

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
SCHEMBL24345964 0.95 BIRC2 (0.66) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL30759487 0.89 ERAP2 (0.67) BIRC2ERAP2LNPEPERAP1OPRM1
SCHEMBL30973624 0.88 MME (0.64) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL8583007 0.88 MME (0.64) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL9956195 0.88 MME (0.64) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL12829481 0.87 ALDH1A1 (0.65) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL1486271 0.87 IL1RN (0.61) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL29498141 0.87 ALDH1A1 (0.59) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL30581395 0.87 OPRK1 (0.69) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7139809 0.87 OPRK1 (0.69) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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
WO-2022149584-A1 PEPTIDE AGC株式会社 2022-07-14 — — WO disclosed
EP-3995486-A1 PEPTIDE AND METHOD FOR MANUFACTURING SAME AGC INC. (JP) 2022-05-11 — — EP disclosed
US-20220119440-A1 PEPTIDE AND METHOD FOR MANUFACTURING SAME AGC Inc. (JP) 2022-04-21 — — 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-20220119440-A1 PEPTIDE AND METHOD FOR MANUFACTURING SAME VIP, RFC2, QRFPR BIRC2 2523/4885ALDH1A1 4069/4885THRB 2326/4885

“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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