SCHEMBL6185955

SCHEMBL6185955

COC(=O)N(C(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.47
▸ PPARG P37231 7/20 0.46
▸ PPARA Q07869 4/20 0.46
▸ MAOB P27338 3/20 0.46
▸ PPARD Q03181 1/20 0.45
▸ EPOR P19235 1/20 0.45
▸ ALOX5 P09917 2/20 0.43
▸ MME P08473 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL4600752 0.90 CTRB1 (0.40) PPARGPPARANPC1RAB9A
SCHEMBL30510366 0.90 CTRB1 (0.40) PPARGPPARANPC1RAB9A
SCHEMBL5407004 0.90 CTRB1 (0.40) PPARGPPARANPC1RAB9A
SCHEMBL4600067 0.90 CTRB1 (0.40) PPARGPPARANPC1RAB9A
SCHEMBL4600010 0.89 LDHA (0.47) PPARGPPARA
SCHEMBL30510242 0.89 LDHA (0.47) PPARGPPARA
SCHEMBL1430451 0.87 PPARG (0.43) PPARGPPARAPPARDFFAR1
SCHEMBL25177964 0.86 ATM (0.39) PPARGPPARASMN1; SMN2
SCHEMBL30767800 0.86 ATM (0.39) PPARGPPARASMN1; SMN2
SCHEMBL5403825 0.86 ITGA4 (0.42) PPARGPPARAPPARDMMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 — — EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 — — US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 — — US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 — — US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — 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 (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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 LTA4H 348/4885PPARG 4602/4885PPARA 4360/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 LTA4H 348/4885PPARG 4602/4885PPARA 4360/4885

“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.

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