SCHEMBL1026423

SCHEMBL1026423

CCOC(=O)C(=O)c1ccc(SCCOC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAP2K7 O14733 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL12574524 0.88 NPC1 (0.44) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL1023962 0.84 RAB9A (0.57) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL21636243 0.80 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL640427 0.79 ALDH1A1 (0.52) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL1018873 0.77 CA1 (0.47) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12636218 0.77 HPGD (0.53) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL10374298 0.77 MAPT (0.51) NPC1RAB9AMAPT
SCHEMBL16799983 0.77 RAB9A (0.41) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4414189 0.76 MAPT (0.55) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL1866387 0.75 ALDH1A1 (0.44) NPC1RAB9AALDH1A1MAPTKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
EP-2275414-B1 CYCLOPENTYLACRYLAMIDE DERIVATIVE KYORIN SEIYAKU KK (JP) 2015-06-10 EP disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US disclosed
EP-2275414-A1 CYCLOPENTYLACRYLIC ACID AMIDE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2011-01-19 EP 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-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 NPC1 237/4885RAB9A 2029/4885ALDH1A1 606/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 NPC1 237/4885RAB9A 2029/4885ALDH1A1 606/4885

“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.