SCHEMBL671695

SCHEMBL671695

COC(=O)c1cccc(Sc2c(C)n(Cc3ccc(F)cc3)c3cc(Cl)ccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.54
AKR1B1 P15121 3/20 0.48
PTGDR2 Q9Y5Y4 3/20 0.48
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
DRD2 P14416 1/20 0.43
TBXA2R P21731 1/20 0.43
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
BLM P54132 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL670810 0.92 ENPP2 (0.59) ENPP2AKR1B1PTGDR2MAPTDRD2
SCHEMBL670707 0.90 ENPP2 (0.68) ENPP2AKR1B1PTGDR2MAPTCYP3A4
SCHEMBL15024235 0.89 ENPP2 (0.52) ENPP2AKR1B1PTGDR2MAPTDRD2
SCHEMBL671948 0.89 ENPP2 (0.52) ENPP2AKR1B1PTGDR2MAPTDRD2
SCHEMBL670475 0.87 ENPP2 (0.48) ENPP2AKR1B1PTGDR2DRD2TBXA2R
SCHEMBL671832 0.83 EDNRB (0.47) ENPP2AKR1B1PTGDR2MAPTDRD2
SCHEMBL671536 0.83 ENPP2 (0.52) ENPP2AKR1B1PTGDR2DRD2TBXA2R
SCHEMBL670634 0.82 ENPP2 (0.78) ENPP2AKR1B1PTGDR2MAPT
SCHEMBL670612 0.82 ENPP2 (0.73) ENPP2AKR1B1PTGDR2MAPTCYP3A4
SCHEMBL671377 0.81 MAPK8 (0.50) ENPP2AKR1B1PTGDR2MAPT

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 1/4885AKR1B1 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.