SCHEMBL6332861

SCHEMBL6332861

Cc1cc(SC(C)(C)C(=O)O)ccc1-c1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(-c2ccccc2)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ LMNA P02545 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ SLC1A3 P43003 2/20 0.37
▸ SLC1A2 P43004 2/20 0.37
▸ SLC1A1 P43005 2/20 0.37
▸ DHODH Q02127 1/20 0.37

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
SCHEMBL6327463 0.94 PPARA (0.42) TRPV1MAPTMEN1KMT2APPARA
SCHEMBL6330428 0.92 MAPT (0.42) MAPTMEN1KMT2APPARALMNA
SCHEMBL6325625 0.88 MAPT (0.45) MAPTMEN1KMT2APPARALMNA
SCHEMBL6329843 0.88 MAPT (0.41) MAPTMEN1KMT2APPARALMNA
SCHEMBL6337259 0.86 HIPK4 (0.40) MAPTMEN1KMT2ALMNANPC1
Trifluoroacetic Acid SCHEMBL6334767 0.85 DGAT1 (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6334763 0.85 MAPT (0.38) MAPTMEN1KMT2APPARALMNA
SCHEMBL6335252 0.84 PPARA (0.49) TRPV1MAPTMEN1KMT2APPARA
SCHEMBL6326632 0.83 MAPT (0.39) MAPTPPARALMNANPC1RAB9A
SCHEMBL6327695 0.83 TP53 (0.43) MAPTMEN1KMT2ALMNANPC1

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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2005-01-20 — — 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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity GPR119, EGLN3, PC TRPV1 1766/4885MAPT 3022/4885MEN1 3157/4885

“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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