SCHEMBL670462

SCHEMBL670462

CCOC(=O)Cc1ccc(OC)c(S[Si](C(C)C)(C(C)C)C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
DPP4 P27487 2/20 0.39
KLK7 P49862 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 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
SCHEMBL670609 0.78 DRD2 (0.42) DRD2ABL1RIN1L3MBTL1NPC1
SCHEMBL908271 0.77 ABL1 (0.59) DRD2ABL1RIN1L3MBTL1NPC1
SCHEMBL12191688 0.76 L3MBTL1 (0.50) DRD2ABL1RIN1L3MBTL1NPC1
SCHEMBL19750149 0.76 DRD2 (0.40) DRD2ABL1RIN1L3MBTL1NPC1
SCHEMBL2391813 0.76 ALDH1A1 (0.53) DRD2ABL1RIN1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL6986916 0.75 GAA (0.54) DRD2ABL1RIN1L3MBTL1ALDH1A1
SCHEMBL349587 0.74 GAA (0.67) NFKB1SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL3219080 0.74 ABL1 (0.47) DRD2ABL1RIN1L3MBTL1NPC1
SCHEMBL2394324 0.73 HDAC1 (0.51) DRD2ABL1RIN1SMN1; SMN2ALDH1A1
SCHEMBL2394329 0.73 HDAC1 (0.51) DRD2ABL1RIN1SMN1; SMN2ALDH1A1

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 DRD2 4868/4885ABL1 2980/4885RIN1 1264/4885
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 DRD2 4868/4885ABL1 2980/4885RIN1 1264/4885

“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.