SCHEMBL10000329

SCHEMBL10000329

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.49
▸ ITGB3 P05106 5/20 0.47
▸ ITGAV P06756 4/20 0.47
▸ ITGB1 P05556 2/20 0.47
▸ ITGA5 P08648 2/20 0.47
▸ ITGB5 P18084 2/20 0.47
▸ PIN1 Q13526 3/20 0.46
▸ MC4R P32245 9/20 0.45
▸ MC5R P33032 9/20 0.45
▸ MC3R P41968 9/20 0.45
▸ MC1R Q01726 9/20 0.45
▸ GNAI1 P63096 1/20 0.43
▸ CXCR4 P61073 1/20 0.43
▸ ITGA2B P08514 1/20 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
SCHEMBL29569086 0.94 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14883291 0.93 MC4R (0.49) CACNA1BITGB3ITGAVITGB1ITGA5
SCHEMBL24975502 0.93 PIN1 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL15853554 0.92 MC4R (0.46) CACNA1BITGB3ITGAVITGB1ITGA5
SCHEMBL29568895 0.92 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL18968797 0.92 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL12315562 0.91 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL22872754 0.90 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL21475019 0.89 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL19605481 0.89 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5

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
US-20170245976-A1 IMPLANTABLE BIOREACTOR FOR DELIVERY OF PARACRINE FACTORS UNIV JOHNS HOPKINS (US) 2017-08-31 — — US disclosed
US-20150217030-A1 METHOD FOR COATING A MEDICAL DEVICE WITH A CONFORMAL HYDROGEL THE JOHNS HOPKINS UNIVERSITY 2015-08-06 — — US disclosed
US-20120083767-A1 IMPLANTABLE BIOREACTOR FOR DELIVERY OF PARACRINE FACTORS THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-05 — — 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-20170245976-A1 IMPLANTABLE BIOREACTOR FOR DELIVERY OF PARACRINE FACTORS PGF, BMP2, FGF2 CACNA1B 4017/4885ITGB3 1309/4885ITGAV 1932/4885

“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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