SCHEMBL4226768

SCHEMBL4226768

CC(C)(CC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(F)cc3)c(F)c2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 5/20 0.49
DGAT1 O75907 4/20 0.48
POLB P06746 2/20 0.45
CNR1 P21554 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
XBP1 P17861 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL4225890 0.92 POLB (0.53) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4226568 0.91 RAB9A (0.47) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL5071427 0.89 DGAT1 (0.44) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4221231 0.82 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4235449 0.78 ABCB1 (0.45)
SCHEMBL13752563 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL13752568 0.77 GAA (0.59) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL4226915 0.77 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTDGAT1
SCHEMBL3089092 0.77 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL5067991 0.77 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTHTT

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-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-27 US 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-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885SMN1; SMN2 3975/4885

“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.