SCHEMBL4226568

SCHEMBL4226568

CCc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)CC(C)(C)C(=O)O)cc3)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
DGAT1 O75907 3/20 0.47
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK14 Q16539 2/20 0.42
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PKM P14618 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
FAAH O00519 1/20 0.40
CA12 O43570 1/20 0.40

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 0.91 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL5067991 0.88 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL5071427 0.86 DGAT1 (0.44) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL4225890 0.85 POLB (0.53) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL4221231 0.79 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL4235449 0.76 ABCB1 (0.45) KIF11
SCHEMBL13752563 0.75 NPC1 (0.54) RAB9ANPC1SMN1; SMN2MAPTTDP1
SCHEMBL4226915 0.74 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTDGAT1
SCHEMBL13752749 0.74 MEN1 (0.44) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL4124716 0.74 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTLMNA

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 3 patents. 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
EP-1874317-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2008-01-09 EP claimed
WO-2006113919-A2 ARYL ALKYL ACID DERIVATIVES FOR AND USE THEREOF BAYER PHARMACEUTICALS CORPORATION (US) 2006-10-26 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-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity FABP4, GPR119, LIPC RAB9A 2066/4885NPC1 187/4885SMN1; 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.