SCHEMBL7591402

SCHEMBL7591402

CSCC[C@](C)(NC(=O)c1cccc(COC(Cn2ccnc2)c2ccc(F)cc2)c1-c1ccc(F)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
IDO1 P14902 3/20 0.40
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP51A1 Q16850 3/20 0.34
CYP26A1 O43174 3/20 0.34
QPCT Q16769 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP8B1 Q9UNU6 1/20 0.33

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
SCHEMBL7585240 0.84 PTGS2 (0.43) PTGS2IDO1CYP3A4CYP2D6CYP2C9
SCHEMBL7561783 0.84 PTGS2 (0.43) PTGS2IDO1CYP3A4CYP2D6CYP2C9
SCHEMBL7656241 0.76 CYP51A1 (0.40) PTGS2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7667482 0.75 PTGS2 (0.43) PTGS2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7561794 0.74 FNTA (0.40) PTGS2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7657941 0.73 FNTA (0.37) PTGS2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7862159 0.73 PTGS2 (0.44) PTGS2IDO1CYP3A4CYP2D6CYP2C9
SCHEMBL7660603 0.69 PTGS2 (0.40) PTGS2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7562577 0.69 FNTA (0.55) PTGS2
SCHEMBL7563102 0.68 FNTA (0.58) PTGS2

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-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-02 US claimed
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-02 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-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA PTGS2 2763/4885IDO1 2367/4885CYP3A4 361/4885

“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.