SCHEMBL7608499

SCHEMBL7608499

O=C(O)C(Cc1ccccc1)C(=O)N[C@H](CS)Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.65
MME P08473 3/20 0.65
ECE1 P42892 1/20 0.53
CPA3 P15088 1/20 0.53
FOLH1 Q04609 1/20 0.53

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
SCHEMBL7608505 1.00 CTRB1 (0.65) CTRB1MMEECE1CPA3FOLH1
SCHEMBL8837460 0.83 MME (0.73) CTRB1MMEECE1CPA3FOLH1
SCHEMBL8837483 0.83 CTRB1 (0.73) CTRB1MMEECE1CPA3FOLH1
SCHEMBL7609959 0.82 MME (0.57) CTRB1MMEECE1
SCHEMBL7450894 0.80 MME (0.52) MME
SCHEMBL8837489 0.80 CTRB1 (0.73) CTRB1MMEECE1CPA3FOLH1
SCHEMBL4325217 0.79 MME (1.00) CTRB1MMEECE1
SCHEMBL4325212 0.79 MME (1.00) CTRB1MMEECE1
SCHEMBL11493557 0.79 CTRB1 (1.00) CTRB1MMEECE1CPA3
SCHEMBL7304189 0.77 CTRB1 (0.65) CTRB1MMEECE1CPA3FOLH1

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-20020161030-A1 Sulpur derivatives containing a retroamide bond as inhibitors of endothelin-converting enzymes HOECHST MARION ROUSSEL 2002-10-31 US disclosed
US-6420341-B1 TREATING VASOCONSTRICTOR AND HYPERTENSION EFFECTS IN WARM-BLOODED ANIMALS AVENTIS PHARMA S.A. (FR) 2002-07-16 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-20020161030-A1 Sulpur derivatives containing a retroamide bond as inhibitors of endothelin-converting enzymes EDNRA, ECE1, EDNRB CTRB1 451/4885MME 8/4885ECE1 2/4885

“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.