SCHEMBL1883

SCHEMBL1883

COC(=O)c1c(C)noc1-c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
HTT P42858 3/20 0.56
PTGS1 P23219 2/20 0.54
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 4/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
PRKCZ Q05513 1/20 0.45
NPC1 O15118 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC6A3 Q01959 1/20 0.42
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL3703021 0.87 HTT (0.52) RAB9AHTTPTGS1MAPTTP53
SCHEMBL29908046 0.87 HTT (0.57) RAB9AHTTPTGS1MAPTALDH1A1
SCHEMBL14789793 0.87 HTT (0.57) RAB9AHTTPTGS1MAPTALDH1A1
SCHEMBL8243211 0.86 ALDH1A1 (0.64) RAB9AHTTMAPTTP53ALDH1A1
SCHEMBL13438 0.85 PTGS1 (0.69) HTTPTGS1MAPTALDH1A1PKM
SCHEMBL13615432 0.85 LMNA (0.57) RAB9AHTTPTGS1MAPTTP53
SCHEMBL13615437 0.85 MAPT (0.57) RAB9AHTTPTGS1MAPTTP53
SCHEMBL17736161 0.85 ALDH1A1 (0.56) RAB9AHTTPTGS1MAPTALDH1A1
SCHEMBL16502243 0.85 PTGS1 (0.73) HTTPTGS1MAPTTP53ALDH1A1
SCHEMBL22480523 0.85 NPC1 (0.46) RAB9AHTTPTGS1MAPTTP53

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
EP-2648726-B1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2018-04-04 EP disclosed
US-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-9556133-B2 Polycyclic LPA1 antagonist and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO 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
WO-2010068775-A2 ALKYNE ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
WO-2010068775-A2 ALKYNE ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 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-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 RAB9A 1697/4885HTT 1609/4885PTGS1 704/4885
US-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 RAB9A 2221/4885HTT 3033/4885PTGS1 1138/4885
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR4 RAB9A 2536/4885HTT 2926/4885PTGS1 922/4885
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 RAB9A 2824/4885HTT 3154/4885PTGS1 940/4885

“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.