SCHEMBL6035599

SCHEMBL6035599

CCCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1/C=C/C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
GCGR P47871 1/20 0.37
MAPT P10636 5/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HDAC4 P56524 1/20 0.36
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 4/20 0.35
MCHR1 Q99705 1/20 0.35
LMNA P02545 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ABL1 P00519 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL6035602 1.00 SMN1; SMN2 (0.39) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6034585 0.94 SMN1; SMN2 (0.40) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6034584 0.94 SMN1; SMN2 (0.40) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6035530 0.85 SMN1; SMN2 (0.38) SMN1; SMN2HPGDGCGRMAPTNPC1
SCHEMBL6035566 0.82 HPGD (0.41) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6035562 0.82 HPGD (0.41) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6035837 0.82 SMN1; SMN2 (0.40) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6035842 0.82 SMN1; SMN2 (0.40) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6035521 0.80 GCGR (0.42) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6035518 0.80 GCGR (0.42) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19

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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 SMN1; SMN2 4408/4885HPGD 3297/4885CYP1A2 95/4885

“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.