SCHEMBL3044470

SCHEMBL3044470

CN=C(C)C(C(=O)OC)C(=O)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 3/20 0.37
NPC1 O15118 3/20 0.36
CYP3A4 P08684 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
SCHEMBL3044469 1.00 MAPT (0.39) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL3710894 0.86 SIRT1 (0.39) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL3710891 0.86 SIRT1 (0.39) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL16502242 0.84 KMT2A (0.45) MAPTKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL14528 0.84 MAPT (0.36) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL1738 0.84 MAPT (0.43) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL3711787 0.83 NPC1 (0.43) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL3711785 0.83 NPC1 (0.43) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL13828453 0.82 SMN1; SMN2 (0.45) MAPTKMT2ARAB9ALMNAMAPK1
SCHEMBL29907949 0.82 ELANE (0.44) MAPTKMT2AMEN1RAB9ALMNA

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-8455499-B2 Alkyne antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-20110301134-A1 ALKYNE ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-08 US disclosed
WO-2010068775-A2 ALKYNE ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 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-20110301134-A1 ALKYNE ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR3 MAPT 4388/4885KMT2A 1994/4885MEN1 2917/4885

“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.