SCHEMBL671739

SCHEMBL671739

CCOC(=O)c1cccc(Sc2c(C)n(-c3cncc(CC)c3)c3cc(Cl)ccc23)c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL671567 0.93 ENPP2 (0.43) ENPP2SMN1; SMN2KMT2AHTTMAPK1
SCHEMBL671225 0.92 ENPP2 (0.51) ENPP2
SCHEMBL671083 0.86 ENPP2 (0.44) ENPP2SMN1; SMN2KMT2AHTTMAPK1
SCHEMBL671999 0.85 ENPP2 (0.55) ENPP2SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL672078 0.83 ENPP2 (0.64) ENPP2SMN1; SMN2KMT2AHTTMAPK1
SCHEMBL672055 0.81 ENPP2 (0.51) ENPP2
SCHEMBL671435 0.78 ENPP2 (0.62) ENPP2SMN1; SMN2KMT2AHTT
SCHEMBL671395 0.78 ENPP2 (0.51) ENPP2SMN1; SMN2KMT2AHTTMAPK1
SCHEMBL670306 0.76 ENPP2 (0.59) ENPP2SMN1; SMN2KMT2AHTT
SCHEMBL670356 0.76 ENPP2 (0.60) ENPP2

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 17 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
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-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
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 1/4885SMN1; SMN2 2870/4885KMT2A 3249/4885
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 ENPP2 1/4885SMN1; SMN2 2870/4885KMT2A 3249/4885

“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.