SCHEMBL7609959

SCHEMBL7609959

N#Cc1ccccc1-c1ccc(CC(C(=O)O)C(=O)NC(CS)Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.57
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
PTPN1 P18031 1/20 0.46
CTRB1 P17538 3/20 0.46
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
ACE P12821 2/20 0.43
CPA1 P15085 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
ECE1 P42892 1/20 0.41

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
SCHEMBL2846869 0.82 MME (0.59) MMEITGB1ITGA4PTPN1FFAR1
SCHEMBL7608499 0.82 CTRB1 (0.65) MMECTRB1ECE1
SCHEMBL7608505 0.82 CTRB1 (0.65) MMECTRB1ECE1
SCHEMBL8316621 0.78 ITGB1 (0.55) MMEITGB1ITGA4PTPN1FFAR1
SCHEMBL7439103 0.76 MME (0.43) MMEITGB1ITGA4PTPN1ACE
SCHEMBL8445937 0.76 MME (0.53) MMEITGB1ITGA4PTPN1FFAR1
SCHEMBL8312930 0.75 MME (0.54) MMEITGB1ITGA4PTPN1FFAR1
SCHEMBL5164419 0.74 SLC7A5 (0.57) MMEITGB1ITGA4PTPN1FFAR1
SCHEMBL5164414 0.74 SLC7A5 (0.57) MMEITGB1ITGA4PTPN1FFAR1
SCHEMBL8317308 0.74 MME (0.54) MMEITGB1ITGA4PTPN1FFAR1

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 MME 8/4885ITGB1 3945/4885ITGA4 4361/4885

“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.