SCHEMBL2490488

SCHEMBL2490488

CN(Cc1ccccc1)C(COC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
NR4A2 P43354 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MMP13 P45452 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL21829789 0.85 MEN1 (0.46) ALDH1A1SLC6A2SLC6A4MEN1KMT2A
SCHEMBL19357541 0.79 ALDH1A1 (0.41) RIPK1ALDH1A1KDM4EATMNR4A2
SCHEMBL1576833 0.78 MEN1 (0.41) RIPK1ALDH1A1RAB9ANPC1CA12
SCHEMBL15675121 0.78 ITGB3 (0.47) ALDH1A1SLC6A2SLC6A3KMT2AL3MBTL1
SCHEMBL15675122 0.78 ITGB3 (0.47) ALDH1A1SLC6A2SLC6A3KMT2AL3MBTL1
SCHEMBL27245120 0.78 ITGB3 (0.47) ALDH1A1SLC6A2SLC6A3KMT2AL3MBTL1
SCHEMBL1416482 0.78 NR4A2 (0.58) ALDH1A1KDM4EATMNR4A2RAB9A
SCHEMBL8797866 0.78 NPC1 (0.49) ALDH1A1KDM4EATMNR4A2RAB9A
SCHEMBL7469312 0.78 NPC1 (0.49) ALDH1A1KDM4EATMNR4A2RAB9A
SCHEMBL8797872 0.78 NPC1 (0.49) ALDH1A1KDM4EATMNR4A2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
EP-2380892-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-10-26 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 (1 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-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure MDM2, TP53, TP53BP1 RIPK1 1159/4885ALDH1A1 2814/4885KDM4E 2389/4885

“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.