SCHEMBL2394514

SCHEMBL2394514

O=C(O)[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(Nc3nc4c(OC(F)(F)F)cccc4s3)c(F)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.72
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL1747946 0.88 DGAT1 (0.69) DGAT1NPC1RAB9A
SCHEMBL1747947 0.88 DGAT1 (0.69) DGAT1NPC1RAB9A
SCHEMBL1747978 0.83 DGAT1 (1.00) DGAT1DHODH
SCHEMBL12429029 0.83 DGAT1 (1.00) DGAT1DHODH
SCHEMBL2307191 0.83 DGAT1 (0.82) DGAT1NPC1RAB9A
SCHEMBL2396211 0.83 DGAT1 (0.82) DGAT1NPC1RAB9A
SCHEMBL2309473 0.83 DGAT1 (0.82) DGAT1NPC1RAB9A
SCHEMBL2308477 0.82 DGAT1 (0.78) DGAT1NPC1RAB9A
SCHEMBL2309570 0.82 DGAT1 (0.78) DGAT1NPC1RAB9A
SCHEMBL1748121 0.82 DGAT1 (0.58) DGAT1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 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-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885NPC1 187/4885RAB9A 2066/4885

“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.