SCHEMBL6415

SCHEMBL6415

COC(=O)CCc1cccc(-c2ccc(-c3onc(C)c3C(O)CCCc3ccccc3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
PTPN1 P18031 2/20 0.39
FAAH O00519 2/20 0.38
VDR P11473 1/20 0.37
PPARD Q03181 1/20 0.37
FFAR1 O14842 3/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
TSHR P16473 2/20 0.37
CNR2 P34972 1/20 0.37
LPAR1 Q92633 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL7241 0.91 LIPG (0.44) FAAHPPARDFFAR1TSHRLMNA
SCHEMBL17265465 0.88 PTPN1 (0.38) TP53PTPN1VDRPPARDFFAR1
SCHEMBL6416 0.86 LPAR1 (0.40) TP53PTPN1VDRPPARDFFAR1
SCHEMBL6355 0.86 RAB9A (0.38) TP53FAAHPDE4APDE4BPDE4C
SCHEMBL7562 0.85 TSHR (0.39) TP53FAAHFFAR1TSHRLPAR1
SCHEMBL6778 0.85 ALOX5 (0.42) FAAHLPAR1
SCHEMBL6888 0.83 FFAR1 (0.47) PPARDFFAR1TSHRLPAR1FFAR4
SCHEMBL12091 0.82 TSHR (0.41) FAAHTSHRLPAR1RAB9A
SCHEMBL7174 0.81 ALDH1A1 (0.36) TP53FAAHPDE4APDE4BPDE4C
SCHEMBL7480 0.80 LPAR1 (0.50) FAAHTSHRLPAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (2 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 TP53 4397/4885PTPN1 1141/4885FAAH 213/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 TP53 4397/4885PTPN1 1141/4885FAAH 213/4885

“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.