SCHEMBL671008

SCHEMBL671008

CCOC(=O)c1cc(SCC(C)=O)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 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
SCHEMBL671804 0.86 ALDH1A1 (0.45) PKMTSHRL3MBTL1ALDH1A1MAPK1
SCHEMBL19389524 0.77 PKM (0.57) PKML3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL671033 0.77 CYP4F2 (0.49) PKMTSHRL3MBTL1ALDH1A1MAPK1
SCHEMBL671158 0.76 MAOB (0.49) TSHRALDH1A1MAPK1CA12CA2
SCHEMBL288615 0.74 ALDH1A1 (0.55) TSHRALDH1A1MAPK1CA12CA1
SCHEMBL29571295 0.74 ALDH1A1 (0.55) TSHRALDH1A1MAPK1CA12CA1
SCHEMBL4834369 0.74 MEN1 (0.60) TSHRL3MBTL1ALDH1A1MAPK1CA12
SCHEMBL671243 0.73 CA12 (0.50) ALDH1A1MAPK1CA12CA1CA2
SCHEMBL550228 0.73 CA12 (0.74) TSHRALDH1A1CA12CA1CA2
SCHEMBL19389526 0.72 PKM (0.51) PKML3MBTL1ALDH1A1GAASMN1; SMN2

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 15 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
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

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 PKM 4458/4885TSHR 2622/4885L3MBTL1 2270/4885
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 PKM 4458/4885TSHR 2622/4885L3MBTL1 2270/4885

“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.