SCHEMBL2291374

SCHEMBL2291374

CN=C(C)C(C(=O)OC)C(=O)c1ccc(Br)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
CHRNA1 P02708 2/20 0.39
CHRNG P07510 2/20 0.39
CHRNB1 P11230 2/20 0.39
CHRNB2 P17787 2/20 0.39
SLC6A2 P23975 2/20 0.39
CHRNB4 P30926 2/20 0.39
SLC6A4 P31645 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRND Q07001 2/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HPGD P15428 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2291371 1.00 MAPT (0.40) MAPTALDH1A1PKMCHRNA1CHRNG
SCHEMBL2292750 0.86 CHRNA1 (0.54) MAPTALDH1A1PKMCHRNA1CHRNG
SCHEMBL2292755 0.86 CHRNA1 (0.54) MAPTALDH1A1PKMCHRNA1CHRNG
SCHEMBL2288623 0.85 CHRNA1 (0.40) ALDH1A1PKMCHRNA1CHRNGCHRNB1
SCHEMBL2288627 0.85 CHRNA1 (0.40) ALDH1A1PKMCHRNA1CHRNGCHRNB1
SCHEMBL3044470 0.81 MAPT (0.39) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL3044469 0.81 MAPT (0.39) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL3710891 0.80 SIRT1 (0.39) MAPTALDH1A1PKMCHRNA1CHRNG
SCHEMBL3710894 0.80 SIRT1 (0.39) MAPTALDH1A1PKMCHRNA1CHRNG
SCHEMBL3711787 0.79 NPC1 (0.43) MAPTALDH1A1CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-B1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2014-03-12 EP disclosed
US-8440707-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-8048902-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
US-20110196005-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC., (US) 2011-08-11 US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
US-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 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 (4 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-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 MAPT 4253/4885ALDH1A1 3791/4885PKM 2247/4885
US-20110196005-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 MAPT 4253/4885ALDH1A1 3791/4885PKM 2247/4885
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 MAPT 4253/4885ALDH1A1 3791/4885PKM 2247/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 MAPT 4253/4885ALDH1A1 3791/4885PKM 2247/4885

“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.