SCHEMBL22872754

SCHEMBL22872754

C[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.49
▸ ITGAV P06756 3/20 0.49
▸ ITGB5 P18084 1/20 0.49
▸ CTSG P08311 1/20 0.48
▸ MC4R P32245 9/20 0.48
▸ MC5R P33032 9/20 0.48
▸ MC3R P41968 9/20 0.48
▸ MC1R Q01726 9/20 0.48
▸ PLAU P00749 1/20 0.47
▸ ITGB1 P05556 1/20 0.46
▸ ITGA5 P08648 1/20 0.46
▸ PIN1 Q13526 1/20 0.46
▸ TSLP Q969D9 2/20 0.45
▸ ITGA2B P08514 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 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
SCHEMBL24975089 0.94 ITGB3 (0.54) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL23018583 0.91 TSLP (0.52) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL15853554 0.91 MC4R (0.46) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL19605464 0.91 MC4R (0.55) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL25474210 0.91 MC4R (0.55) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL22872704 0.90 ITGB3 (0.59) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL10000329 0.90 CACNA1B (0.49) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL14883291 0.90 MC4R (0.49) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL24975502 0.90 PIN1 (0.49) ITGB3ITGAVITGB5CTSGMC4R
SCHEMBL12146076 0.89 ITGB3 (0.50) ITGB3ITGAVITGB5CTSGMC4R

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 282/4885ITGB5 1740/4885
US-11191843-B2 Multi-arm targeting anti-cancer conjugate LCP1, RRP12, PHLPP1 ITGB3 1642/4885ITGAV 370/4885ITGB5 1908/4885

“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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