SCHEMBL29498141

SCHEMBL29498141

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ BIRC2 Q13490 1/20 0.59
▸ SSTR3 P32745 1/20 0.57
▸ POLB P06746 1/20 0.55
▸ REN P00797 1/20 0.52
▸ ATM Q13315 1/20 0.51
▸ TSHR P16473 1/20 0.50

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
SCHEMBL24628029 0.95 BIRC2 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL5493329 0.89 ALDH1A1 (0.72) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL27336415 0.89 ALDH1A1 (0.72) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL24346312 0.89 ALDH1A1 (0.72) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL27509764 0.88 ALDH1A1 (0.71) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL5966929 0.88 ALDH1A1 (0.71) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL29498151 0.87 BIRC2 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL30055789 0.85 SSTR3 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL30834825 0.84 ALDH1A1 (0.63) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10867497 0.84 ALDH1A1 (0.63) 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 ALDH1A1 4069/4885THRB 2326/4885CYP2C9 2236/4885

“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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