SCHEMBL14788587

SCHEMBL14788587

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.43
CYP1A2 P05177 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CYP3A4 P08684 2/20 0.43
BLM P54132 2/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
THRB P10828 1/20 0.43
BTK Q06187 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 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
SCHEMBL13959948 0.85 DHODH (0.45) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL28391271 0.84 CES2 (0.54) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL13959952 0.83 ALDH1A1 (0.51) KMT2AALDH1A1LMNANPSR1CYP3A4
SCHEMBL14788613 0.81 CES2 (0.41) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL11565461 0.79 CES2 (0.52) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL11565456 0.79 CES2 (0.52) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL14710396 0.78 MAPT (0.56) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL19014543 0.77 RECQL (0.46) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL28383045 0.77 CES2 (0.46) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL14788586 0.74 MAPT (0.41) MEN1KMT2AALDH1A1LMNACYP1A2

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 4 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

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 MEN1 1384/4885KMT2A 2450/4885ALDH1A1 4135/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MEN1 1384/4885KMT2A 2450/4885ALDH1A1 4135/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MEN1 1384/4885KMT2A 2450/4885ALDH1A1 4135/4885

“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.