SCHEMBL2861476

SCHEMBL2861476

CC(C)(S)CN(C(=O)Oc1ccc(OC(F)(F)CC(F)(F)F)cc1)c1ccc2ncsc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.38
NTRK2 Q16620 3/20 0.38
PDE10A Q9Y233 5/20 0.36
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HKDC1 Q2TB90 1/20 0.32
POLB P06746 2/20 0.32
PKM P14618 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL2861333 0.87 MEN1 (0.44) NTRK1NTRK2PDE10ANPC1RAB9A
SCHEMBL2863749 0.85 NPC1 (0.40) PDE10ANPC1RAB9AMEN1KMT2A
SCHEMBL2866857 0.84 GFER (0.39) NTRK1NTRK2PDE10ANPC1RAB9A
SCHEMBL2859669 0.83 SLC22A12 (0.40) NTRK1NTRK2PDE10ANPC1RAB9A
SCHEMBL2863729 0.82 NTRK1 (0.38) NTRK1NTRK2PDE10ANPC1RAB9A
SCHEMBL3406190 0.82 IRAK4 (0.32) IRAK4
SCHEMBL2859929 0.82 ALDH1A1 (0.40) PDE10ANPC1RAB9AMEN1KMT2A
SCHEMBL2866715 0.81 PDE10A (0.37) NTRK1NTRK2PDE10ANPC1RAB9A
SCHEMBL2862160 0.79 PDE10A (0.35) NTRK1NTRK2PDE10ANPC1RAB9A
SCHEMBL2866036 0.78 ALDH1A1 (0.40) PDE10AKMT2AALDH1A1L3MBTL1

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-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed

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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 NTRK1 4580/4885NTRK2 4639/4885PDE10A 3156/4885

“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.