Sugi Predict

Sugi Predict / Compounds / SCHEMBL7568488

SCHEMBL7568488

SCHEMBL7568488

CS(=O)(=O)CC[C@H](NC(=O)c1ccc(COC(Cn2ccnc2)c2ccc(F)cc2)cc1CCc1ccc(F)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.40
▸ IDO1 P14902 3/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ FNTA P49354 2/20 0.39
▸ FNTB P49356 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL7563904 0.89 PTGS2 (0.45) PTGS2IDO1CYP3A4CYP2C9FNTA
SCHEMBL7561955 0.89 FNTA (0.51) PTGS2IDO1CYP3A4CYP2C9FNTA
SCHEMBL7562685 0.86 PTGS2 (0.40) PTGS2CYP3A4CYP2C9FNTAFNTB
SCHEMBL7561326 0.86 PTGS2 (0.40) PTGS2CYP3A4CYP2C9FNTAFNTB
SCHEMBL7568499 0.84 FNTA (0.42) CYP3A4CYP2C9FNTAFNTBCYP2C19
SCHEMBL7564412 0.84 FNTA (0.49) PTGS2IDO1FNTAFNTBPGGT1B
SCHEMBL7863505 0.83 PTGS2 (0.45) PTGS2IDO1CYP3A4CYP2C9FNTA
SCHEMBL7564052 0.82 IDO1 (0.49) PTGS2IDO1CYP3A4CYP2C9CYP2C19
SCHEMBL7562210 0.80 FNTA (0.41) PTGS2IDO1CYP3A4CYP2C9FNTA
SCHEMBL7563722 0.80 FNTA (0.49) PTGS2CYP3A4CYP2C9FNTAFNTB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-16 — — US disclosed
US-20020052376-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors ASTRAZENECA UK LIMITED 2002-05-02 — — US disclosed
US-6342765-B1 COMPOUNDS THAT INHIBIT FARNESYLATION OF MUTANT RAS GENE PRODUCTS; TREATING DISEASES, ESPECIALLY CANCER, WHICH ARE MEDIATED THROUGH FARNESYLATION OF RAS ASTRAZENECA UK LIMITED (GB) 2002-01-29 — — US disclosed
EP-1025088-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2001-09-05 — — EP 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 (2 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-20020058665-A1 Imidazole derivatives and their use as farnesyl protein transferase inhibitors FNTA, FNTB, RABGGTA PTGS2 2714/4885IDO1 2422/4885CYP3A4 307/4885
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.