SCHEMBL671734

SCHEMBL671734

COc1cncc(-n2c(C)c(Sc3cccc(C(=O)O)c3)c3ccc(Cl)cc32)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 14/20 0.73
AKR1B1 P15121 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
MAT2A P31153 1/20 0.41
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
PPARG P37231 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38

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
SCHEMBL670575 0.92 ENPP2 (0.61) ENPP2AKR1B1PTGDR2TUBB4ATUBB
SCHEMBL671493 0.90 ENPP2 (0.77) ENPP2AKR1B1PTGDR2MAT2A
SCHEMBL672129 0.88 ENPP2 (0.80) ENPP2AKR1B1PTGDR2MAT2A
SCHEMBL15024264 0.87 ENPP2 (0.75) ENPP2AKR1B1PTGDR2MAT2A
SCHEMBL670399 0.86 ENPP2 (0.80) ENPP2AKR1B1PTGDR2MAT2A
SCHEMBL672356 0.85 ENPP2 (0.72) ENPP2AKR1B1PTGDR2MAT2A
SCHEMBL671240 0.85 ENPP2 (1.00) ENPP2AKR1B1PTGDR2MAT2A
SCHEMBL670286 0.85 ENPP2 (0.92) ENPP2AKR1B1PTGDR2MAT2A
SCHEMBL19750148 0.85 ENPP2 (0.53) ENPP2AKR1B1PTGDR2MAT2AEDNRB
SCHEMBL670514 0.83 ENPP2 (0.77) ENPP2AKR1B1PTGDR2MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606031-B1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2017-09-27 EP claimed
US-9000025-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2015-04-07 US claimed
EP-2606031-A2 AUTOTAXIN INHIBITORS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-06-26 EP claimed
US-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2013-06-13 US claimed
WO-2012024620-A2 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-02-23 WO claimed
US-9849109-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
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
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-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
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
WO-2012024620-A2 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-02-23 WO 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 1/4885AKR1B1 4121/4885PTGDR2 4411/4885
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 ENPP2 1/4885AKR1B1 4121/4885PTGDR2 4411/4885

“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.