SCHEMBL14710396

SCHEMBL14710396

CCOC(=O)/C(C#N)=C(/O)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.45
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
CES2 O00748 1/20 0.40
ACHE P22303 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
SCHEMBL8076180 0.86 MAPT (0.56) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL14194425 0.86 MAPT (0.56) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL8076184 0.86 MAPT (0.56) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL1554676 0.85 MAPT (0.47) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL20551554 0.85 MAPT (0.56) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL1554675 0.85 MAPT (0.47) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL14710368 0.85 MAPT (0.47) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL20551552 0.85 MAPT (0.56) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL14710458 0.84 MAPT (0.46) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL14788587 0.78 MEN1 (0.43) MAPTKMT2AMEN1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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 (3 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 MAPT 4564/4885KMT2A 2450/4885MEN1 1384/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MAPT 4564/4885KMT2A 2450/4885MEN1 1384/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MAPT 4564/4885KMT2A 2450/4885MEN1 1384/4885

“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.