SCHEMBL6035849

SCHEMBL6035849

CC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1cc(CCC(=O)O)n(-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.36
GCGR P47871 2/20 0.35
HDAC4 P56524 1/20 0.34
LTB4R Q15722 2/20 0.34
FABP3 P05413 6/20 0.33
PPARD Q03181 4/20 0.33
FABP5 Q01469 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FABP4 P15090 1/20 0.33
FABP7 O15540 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PPARA Q07869 2/20 0.33
GCG P01275 1/20 0.32
PPARG P37231 1/20 0.32
SNCA P37840 1/20 0.32

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
SCHEMBL6036236 0.98 MLYCD (0.35) MLYCDGCGRHDAC4LTB4RFABP3
SCHEMBL6034689 0.90 PPARD (0.36) GCGRHDAC4LTB4RFABP3PPARD
SCHEMBL6036397 0.90 GCGR (0.36) MLYCDGCGRHDAC4LTB4RPPARD
SCHEMBL6036403 0.89 GCGR (0.36) MLYCDGCGRHDAC4LTB4RL3MBTL1
SCHEMBL6036323 0.88 LTB4R (0.38) GCGRLTB4RFABP3PPARDL3MBTL1
SCHEMBL1633424 0.88 SMN1; SMN2 (0.37) GCGRLTB4RFABP3PPARDFABP5
SCHEMBL6035370 0.88 GCGR (0.37) GCGRHDAC4LTB4RFABP3PPARD
SCHEMBL6036332 0.88 GCGR (0.36) MLYCDGCGRHDAC4LTB4RPPARD
SCHEMBL6035191 0.86 MRGPRX4 (0.35) GCGRLTB4RFABP3PPARDFABP5
SCHEMBL6035372 0.85 PPARD (0.36) GCGRLTB4RPPARDPPARAPPARG

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 1 patent. 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

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 MLYCD 962/4885GCGR 93/4885HDAC4 164/4885

“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.