SCHEMBL24713350

SCHEMBL24713350

C[C@@H](O)C1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CNC(=O)CC[C@@H](C(N)=O)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 6/20 0.53
▸ KDM4A O75164 1/20 0.50
▸ CACNA1B Q00975 1/20 0.49
▸ CTSG P08311 1/20 0.49
▸ ITGB3 P05106 1/20 0.47
▸ ITGB1 P05556 1/20 0.47
▸ ITGAV P06756 1/20 0.47
▸ ITGA5 P08648 1/20 0.47
▸ ITGB5 P18084 1/20 0.47
▸ PLAU P00749 1/20 0.47
▸ NNMT P40261 1/20 0.45
▸ KRAS P01116 1/20 0.45
▸ KEAP1 Q14145 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43
▸ PRKACA P17612 1/20 0.42
▸ PRKACG P22612 1/20 0.42
▸ PRKACB P22694 1/20 0.42
▸ MC4R P32245 3/20 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
SCHEMBL19806911 0.81 KEAP1 (0.47) PIN1CTSGITGB3ITGB1ITGAV
SCHEMBL19806987 0.81 PIN1 (0.51) PIN1KDM4ACACNA1BCTSGITGB3
SCHEMBL19806913 0.80 KEAP1 (0.47) PIN1CTSGITGB3ITGB1ITGAV
SCHEMBL19807066 0.79 PIN1 (0.49) PIN1CTSGITGB3ITGB1ITGAV
SCHEMBL24713050 0.78 SSTR2 (0.53) PIN1KDM4ACACNA1BCTSGITGB3
SCHEMBL22085206 0.77 KDM1A (0.50) PIN1KDM4ACACNA1BCTSGITGB3
Cyclorgdfv SCHEMBL29973120 0.77 ITGB3 (0.58) KDM4ACTSGITGB3ITGB1ITGAV
Cyclorgdfv SCHEMBL25474158 0.77 ITGB3 (0.58) KDM4ACTSGITGB3ITGB1ITGAV
Cyclorgdfv SCHEMBL19605549 0.77 ITGB3 (0.58) KDM4ACTSGITGB3ITGB1ITGAV
Cyclorgdfv SCHEMBL19605449 0.77 ITGB3 (0.58) KDM4ACTSGITGB3ITGB1ITGAV

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-20220387608-A1 ADRENOMEDULLIN-ANALOGUES FOR LONG-TERM STABILIZATION AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 2022-12-08 — — 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-20220387608-A1 ADRENOMEDULLIN-ANALOGUES FOR LONG-TERM STABILIZATION AND THEIR USE VEGFA, ADM2, SERPINA6 PIN1 879/4885KDM4A 4876/4885CACNA1B 3653/4885

“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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