SCHEMBL22872747

SCHEMBL22872747

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](N)CCS)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.51
▸ ITGAV P06756 8/20 0.51
▸ ITGA5 P08648 4/20 0.51
▸ ITGB1 P05556 2/20 0.51
▸ MC4R P32245 9/20 0.50
▸ MC5R P33032 9/20 0.50
▸ MC3R P41968 9/20 0.50
▸ MC1R Q01726 9/20 0.50
▸ ITGB5 P18084 3/20 0.50
▸ ITGA2B P08514 2/20 0.48
▸ CTSG P08311 1/20 0.48

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
SCHEMBL24285403 0.94 ITGB3 (0.53) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL22807688 0.94 ITGB3 (0.53) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL22758169 0.94 ITGB3 (0.53) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL20754200 0.94 ITGB3 (0.53) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL7744260 0.92 ITGB3 (0.56) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL19981446 0.92 ITGB3 (0.56) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL7743670 0.92 ITGB3 (0.56) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL22970321 0.92 ITGB3 (0.56) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL21401905 0.91 MC4R (0.50) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL22807638 0.90 ITGB3 (0.54) ITGB3ITGAVITGA5ITGB1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191843-B2 Multi-arm targeting anti-cancer conjugate BRIGHTGENE BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2021-12-07 — — US disclosed
US-20210008218-A1 MULTI-ARM TARGETING ANTI-CANCER CONJUGATE BRIGHTGENE BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2021-01-14 — — 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 (2 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-20210008218-A1 MULTI-ARM TARGETING ANTI-CANCER CONJUGATE DCLRE1A, RRP12, LARP1 ITGB3 1461/4885ITGAV 282/4885ITGA5 1281/4885
US-11191843-B2 Multi-arm targeting anti-cancer conjugate LCP1, RRP12, PHLPP1 ITGB3 1642/4885ITGAV 370/4885ITGA5 1708/4885

“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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