SCHEMBL4225890

SCHEMBL4225890

CC(C)(CC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(F)cc3F)c(F)c2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 3/20 0.49
PKM P14618 2/20 0.48
DGAT1 O75907 1/20 0.46
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PSMD14 O00487 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4226768 0.92 NPC1 (0.52) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4226568 0.85 RAB9A (0.47) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5071427 0.85 DGAT1 (0.44) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4221231 0.85 ALDH1A1 (0.47) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4235449 0.81 ABCB1 (0.45)
SCHEMBL6032134 0.76 HDAC1 (0.41) SMN1; SMN2LMNAMAPTDGAT1KMT2A
SCHEMBL3089092 0.75 SMN1; SMN2 (0.59) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4232536 0.74 NR1H4 (0.42) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL12266281 0.73 DGAT1 (0.41) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL27193044 0.73 RAB9A (0.77) POLBNPC1RAB9ASMN1; SMN2LMNA

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 POLB 3459/4885NPC1 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.