SCHEMBL30578084

SCHEMBL30578084

CC(C)C[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.51
▸ GHSR Q92847 1/20 0.49
▸ EED O75530 1/20 0.49
▸ CALCRL Q16602 1/20 0.47
▸ BACE1 P56817 4/20 0.47
▸ CTSD P07339 1/20 0.47
▸ BACE2 Q9Y5Z0 1/20 0.47

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
SCHEMBL29607879 0.88 EED (0.59) RENGHSREED
SCHEMBL29789248 0.88 EED (0.59) RENGHSREED
SCHEMBL30051514 0.87 CTSC (0.57) RENCALCRLBACE1
SCHEMBL30658577 0.86 REN (0.46) RENGHSR
SCHEMBL30052854 0.86 CTSC (0.56) RENEED
SCHEMBL30750436 0.85 NTSR2 (0.60) RENGHSREED
SCHEMBL31026131 0.85 GHSR (0.63) RENGHSREED
SCHEMBL21164378 0.84 REN (0.60) REN
SCHEMBL29433973 0.84 CALCRL (0.56) RENCALCRLBACE1CTSD
SCHEMBL30017540 0.84 REN (0.51) RENEEDBACE1CTSDBACE2

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-11759524-B2 Mitochondrially targeted PARP inhibitor, and uses thereof University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-09-19 — — 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-11759524-B2 Mitochondrially targeted PARP inhibitor, and uses thereof PARP1, PARP2, PARP3 REN 4531/4885GHSR 4870/4885EED 3477/4885

“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.

Send feedback