SCHEMBL3196596

SCHEMBL3196596

O=C(O)C=Cc1ccc(O)cc1Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
PPARG P37231 8/20 0.51
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 2/20 0.48
CYP2C9 P11712 1/20 0.48
LMNA P02545 1/20 0.47
LIPE Q05469 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
FFAR1 O14842 1/20 0.45

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
SCHEMBL3196581 1.00 RAB9A (0.53) RAB9APPARGCYP1A1CYP1B1SMN1; SMN2
SCHEMBL3207273 0.86 PPARG (0.67) PPARGSMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL3207287 0.86 PPARG (0.67) PPARGSMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL3220986 0.85 RAB9A (0.58) RAB9APPARGSMN1; SMN2CYP1A2CYP2C19
SCHEMBL3198836 0.84 RAB9A (0.52) RAB9APPARGSMN1; SMN2CYP1A2CYP2C19
SCHEMBL3212798 0.84 RAB9A (0.52) RAB9APPARGSMN1; SMN2CYP1A2CYP2C19
SCHEMBL3213597 0.84 PPARG (0.59) PPARGCYP1A1CYP1B1SMN1; SMN2LMNA
SCHEMBL3205332 0.84 PPARG (0.53) RAB9APPARGSMN1; SMN2CYP1A2CYP2C19
SCHEMBL3213617 0.84 PPARG (0.59) PPARGCYP1A1CYP1B1SMN1; SMN2LMNA
SCHEMBL3206862 0.84 PPARG (0.58) PPARGCYP1A1CYP1B1SMN1; SMN2CYP1A2

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
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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 (3 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 RAB9A 3599/4885PPARG 31/4885CYP1A1 2809/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 RAB9A 3729/4885PPARG 30/4885CYP1A1 2059/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 RAB9A 3599/4885PPARG 31/4885CYP1A1 2809/4885

“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.