SCHEMBL31035995

SCHEMBL31035995

O=C(N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRHDE Q9UKU6 1/20 0.52
ITGB3 P05106 10/20 0.49
ITGA2B P08514 10/20 0.49
PPARA Q07869 3/20 0.47
PPARG P37231 1/20 0.47
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
TACR1 P25103 2/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 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
SCHEMBL18468298 0.89 ITGB3 (0.48) ITGB3ITGA2BPPARAPPARGCTSL
SCHEMBL755381 0.89 TRHDE (0.54) TRHDEITGA4ITGB7
SCHEMBL1430994 0.87 ITGB3 (0.46) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL2215563 0.87 ITGB3 (0.46) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL17642069 0.85 ACE (0.56) TRHDEITGB3ITGA2BPPARAPPARG
SCHEMBL3429311 0.85 ACE (0.56) TRHDEITGB3ITGA2BPPARAPPARG
SCHEMBL9394394 0.84 ITGB3 (0.52) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL29589719 0.84 MDM4 (0.54) TRHDE
SCHEMBL29400706 0.84 MDM4 (0.54) TRHDE
SCHEMBL30234099 0.84 MDM4 (0.54) TRHDE

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-20240285724-A1 METHODS AND COMPOSITIONS FOR TREATING OCULAR DISORDERS AND DISEASES ONL THERAPEUTICS, INC. 2024-08-29 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-20240285724-A1 METHODS AND COMPOSITIONS FOR TREATING OCULAR DISORDERS AND DISEASES NFKBIA, ALDH1A2, ALOX5 TRHDE 4165/4885ITGB3 1618/4885ITGA2B 1538/4885

“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.