SCHEMBL3707247

SCHEMBL3707247

CCOC(=O)Cc1ccc(F)c(B(O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
CYP4Z1 Q86W10 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.42
MAOB P27338 2/20 0.41
ALDH1A1 P00352 1/20 0.40
F10 P00742 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
LIPE Q05469 1/20 0.39

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
SCHEMBL165276 0.84 ALDH1A1 (0.50) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL909600 0.83 MAPT (0.47) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL4278414 0.81 ALDH1A1 (0.50) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL15976370 0.81 DRD2 (0.46) MAPTNPC1LMNAALDH1A1MEN1
SCHEMBL2293094 0.80 KDM4E (0.53) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL29955502 0.79 HPGD (0.47) MAPTNFKB1LMNAALDH1A1MEN1
SCHEMBL226654 0.78 YWHAG (0.50) MAPTCYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL15067045 0.78 CA12 (0.54) MAPTSMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL29955941 0.78 CA12 (0.54) MAPTSMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL25277632 0.78 CYP4Z1 (0.45) MAPTCYP4Z1SMN1; SMN2NPC1PKM

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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO 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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 MAPT 4253/4885CYP4Z1 4550/4885SMN1; SMN2 3849/4885

“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.