SCHEMBL670692

SCHEMBL670692

CCn1cc(-n2c(C)c(Sc3cccc(C(=O)OC)c3)c3ccc(S(C)(=O)=O)cc32)cn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 12/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.39
TAS2R8 Q9NYW2 1/20 0.36
CYP2C9 P11712 1/20 0.35
AKR1B1 P15121 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4B Q07343 1/20 0.33
MAPK8 P45983 1/20 0.33

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
SCHEMBL671588 0.92 ENPP2 (0.60) ENPP2PTGDR2CYP2C9AKR1B1PDE4B
SCHEMBL10289353 0.88 ENPP2 (0.53) ENPP2TAS2R8
SCHEMBL672532 0.86 ENPP2 (0.51) ENPP2TAS2R8
SCHEMBL19389457 0.84 ENPP2 (0.49) ENPP2TAS2R8
SCHEMBL670638 0.81 ENPP2 (0.66) ENPP2PTGDR2AKR1B1
SCHEMBL671576 0.79 ENPP2 (0.79) ENPP2PTGDR2AKR1B1
SCHEMBL10289350 0.79 ENPP2 (0.63) ENPP2PTGDR2AKR1B1
SCHEMBL14127890 0.78 ENPP2 (0.55) ENPP2PTGDR2AKR1B1MAPK8
SCHEMBL670908 0.77 ENPP2 (0.60) ENPP2
SCHEMBL670508 0.77 ENPP2 (0.83) ENPP2PTGDR2AKR1B1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849109-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
EP-2606031-B1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2017-09-27 EP disclosed
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2015-06-18 US disclosed
US-9000025-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-9000025-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-9000025-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
EP-2606031-A2 AUTOTAXIN INHIBITORS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-06-26 EP disclosed
US-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
US-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
US-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
WO-2012024620-A2 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-02-23 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-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 ENPP2 1/4885PTGDR2 4411/4885TAS2R8 4315/4885
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 ENPP2 1/4885PTGDR2 4411/4885TAS2R8 4315/4885

“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.