SCHEMBL7529901

SCHEMBL7529901

CCOC(CC(=O)OC(=O)[C@@H](N)CCCNC(=N)N)c1ccc(OCCn2c(CC)nc(-c3ccccc3)cc2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
P2RY12 Q9H244 1/20 0.31

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
SCHEMBL7530756 0.89 FFAR1 (0.38) FFAR1P2RY12
SCHEMBL7006209 0.86 PPARG (0.40)
SCHEMBL7558343 0.83 FFAR1 (0.36) FFAR1P2RY12
Arginine SCHEMBL7006206 0.82 PPARG (0.46)
SCHEMBL7560961 0.82 P2RY12 (0.35) FFAR1P2RY12
SCHEMBL7532107 0.80 FFAR1 (0.48) FFAR1
SCHEMBL7526763 0.80 FFAR1 (0.48) FFAR1
SCHEMBL7528211 0.80 FFAR1 (0.48) FFAR1
SCHEMBL7531956 0.80 FFAR1 (0.48) FFAR1
SCHEMBL7528527 0.80 FFAR1 (0.48) FFAR1

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-20020169175-A1 Pharmaceutically acceptable salts of heterocyclic compounds DR. REDDY'S LABORATORIES LTD. 2002-11-14 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 (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-20020169175-A1 Pharmaceutically acceptable salts of heterocyclic compounds CYP3A43, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 FFAR1 2774/4885KDM4E 4581/4885ALDH1A1 767/4885

“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.