SCHEMBL670759

SCHEMBL670759

COC(=O)C=Cc1cccc(Sc2c(C)n(Cc3ccccc3)c3cc(Cl)ccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.49
AKR1B1 P15121 3/20 0.49
ENPP2 Q13822 3/20 0.48
EDNRB P24530 2/20 0.44
EDNRA P25101 2/20 0.44
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
PPARG P37231 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P2RX3 P56373 2/20 0.41
NR1H4 Q96RI1 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL670757 1.00 PTGDR2 (0.49) PTGDR2AKR1B1ENPP2EDNRBEDNRA
SCHEMBL671130 0.91 PTGDR2 (0.53) PTGDR2AKR1B1ENPP2EDNRBEDNRA
SCHEMBL671132 0.91 PTGDR2 (0.53) PTGDR2AKR1B1ENPP2EDNRBEDNRA
SCHEMBL15024219 0.89 PTGDR2 (0.50) PTGDR2AKR1B1ENPP2EDNRBEDNRA
SCHEMBL19389493 0.85 PTGDR2 (0.48) PTGDR2AKR1B1ENPP2EDNRBEDNRA
SCHEMBL672295 0.84 PTGDR2 (0.52) PTGDR2AKR1B1ENPP2EDNRBEDNRA
SCHEMBL670810 0.83 ENPP2 (0.59) PTGDR2AKR1B1ENPP2EDNRBEDNRA
SCHEMBL10289422 0.82 PTGDR2 (0.49) PTGDR2AKR1B1ENPP2EDNRBEDNRA
SCHEMBL671368 0.82 PTGDR2 (0.49) PTGDR2AKR1B1ENPP2EDNRBEDNRA
SCHEMBL671367 0.82 PTGDR2 (0.49) PTGDR2AKR1B1ENPP2EDNRBEDNRA

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 7 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
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

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 PTGDR2 4411/4885AKR1B1 4121/4885ENPP2 1/4885
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 PTGDR2 4411/4885AKR1B1 4121/4885ENPP2 1/4885

“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.