SCHEMBL7450894

SCHEMBL7450894

CC(=O)SCC(Cc1ccccc1)NC(=O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.52
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ABCC3 O15438 1/20 0.49
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
NR3C1 P04150 1/20 0.49
RARG P13631 1/20 0.49
CNR1 P21554 1/20 0.49
OPRK1 P41145 1/20 0.49
NR1H2 P55055 1/20 0.49
PPARA Q07869 1/20 0.49
NR1H3 Q13133 1/20 0.49
NR1I3 Q14994 1/20 0.49
ACE P12821 1/20 0.48
FCER2 P06734 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
SCHEMBL8837469 0.85 FCER2 (0.50) MMECYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL9068533 0.84 MME (0.62) MMECYP3A4MAPK1ACEPAM
SCHEMBL9587602 0.84 MME (0.48) MMECYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL9587952 0.83 MME (0.47) MMECYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL7439103 0.82 MME (0.43) MMECYP3A4MAPK1ACEFCER2
SCHEMBL9588793 0.81 CYP3A4 (0.46) MMECYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL7298881 0.81 MME (0.58) MMECYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL18576675 0.81 CTRB1 (0.65) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7608505 0.80 CTRB1 (0.65) MME
SCHEMBL7608499 0.80 CTRB1 (0.65) MME

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 3 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
EP-0888299-A1 SULPHUR DERIVATIVES WITH A RETROAMIDE BOND AS ENDOTHELIN-CONVERTING ENZYME INHIBITORS HOECHST MARION ROUSSEL (FR) 1999-01-07 EP disclosed
WO-1997032849-A1 SULPHUR DERIVATIVES WITH A RETROAMIDE BOND AS ENDOTHELIN-CONVERTING ENZYME INHIBITORS HOECHST MARION ROUSSEL (FR) 1997-09-12 WO 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 8/4885CYP3A4 1062/4885MAPK1 3000/4885

“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.