SCHEMBL670933

SCHEMBL670933

CC(=O)CSc1ccc(CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
GAA P10253 3/20 0.49
CA2 P00918 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
FFAR1 O14842 2/20 0.47
AKR1B1 P15121 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
ABCC4 O15439 1/20 0.46
PTGS1 P23219 1/20 0.46
HTT P42858 1/20 0.46
CTSB P07858 2/20 0.44
ELANE P08246 1/20 0.44
DUSP3 P51452 1/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 3/20 0.43
BLM P54132 2/20 0.43

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
SCHEMBL17285630 0.84 FFAR1 (0.65) PKMGAAFFAR1ALDH1A1HSD17B10
SCHEMBL19389461 0.81 PKM (0.54) PKMGAAFFAR1ALDH1A1HSD17B10
SCHEMBL1403717 0.81 ALDH1A1 (0.53) GAACA2CAMK2AFFAR1AKR1B1
SCHEMBL670854 0.80 APEX1 (0.49) PKMGAAFFAR1AKR1B1ALDH1A1
SCHEMBL670136 0.78 LMNA (0.49) PKMALDH1A1HSD17B10LMNATSHR
SCHEMBL7407 0.78 FFAR1 (0.68) PKMGAAFFAR1ALDH1A1HSD17B10
SCHEMBL2651928 0.78 ALDH1A1 (0.55) GAACA2CAMK2AFFAR1AKR1B1
SCHEMBL8277240 0.78 CA2 (0.62) GAACA2CAMK2AFFAR1AKR1B1
SCHEMBL18676412 0.77 GAA (0.53) PKMGAACA2FFAR1ALDH1A1
SCHEMBL11301284 0.77 CA2 (0.52) GAACA2CAMK2AFFAR1AKR1B1

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 18 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
CN-103201262-B Autotaxin inhibitors and application thereof AMIRA PHARMACEUTICALS, INC. (US) 2016-06-01 CN 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 PKM 4458/4885GAA 100/4885CA2 2476/4885
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 PKM 4458/4885GAA 100/4885CA2 2476/4885

“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.