SCHEMBL14712147

SCHEMBL14712147

COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
UCHL1 P09936 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
PDK2 Q15119 1/20 0.38
SLC7A5 Q01650 1/20 0.36
HTR7 P34969 1/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 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
SCHEMBL5538644 0.90 CYP4F2 (0.40) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL15185134 0.89 ALDH1A1 (0.43) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL25940379 0.87 LIPG (0.41) CYP4F2CYP4A11UCHL1LPLLIPG
SCHEMBL31397555 0.86 MTNR1A (0.38) UCHL1HIF1ALPLLIPGDGAT1
SCHEMBL30019267 0.85 ALDH1A1 (0.43) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL2131624 0.85 ALDH1A1 (0.43) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL2129706 0.85 ALDH1A1 (0.43) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL25734687 0.85 ALDH1A1 (0.46) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL5265730 0.85 GAA (0.40) ALDH1A1GAAUCHL1HPGDMAPT
SCHEMBL136786 0.83 GAA (0.43) ALDH1A1GAAGFERCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944659-B2 Boron-containing diacylhydrazine compounds INTREXON CORPORATION (US) 2018-04-17 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
WO-2014113485-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2014-07-24 WO disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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 (2 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885GAA 957/4885GFER 2149/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885GAA 957/4885GFER 2149/4885

“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.