SCHEMBL609770

SCHEMBL609770

COc1ncc(N2CCC3(CC2)OCCO3)nc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HCRTR1 O43613 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 3/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CES2 O00748 1/20 0.37
LMNA P02545 4/20 0.37
KMT2A Q03164 4/20 0.36

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
SCHEMBL10085403 0.89 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2POLBKDM4E
SCHEMBL17893793 0.78 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2POLBKDM4E
SCHEMBL171913 0.75 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2POLBKDM4E
SCHEMBL17893623 0.75 PTPN11 (0.42) ALDH1A1MAPTPOLBKDM4EHSD17B10
SCHEMBL607889 0.73 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL17893760 0.72 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2POLBKDM4E
SCHEMBL31273952 0.72 PDCD1LG2 (0.41) ALDH1A1MAPTSMN1; SMN2POLBKDM4E
SCHEMBL17893740 0.71 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2POLBKDM4E
SCHEMBL30079311 0.69 MAPK8 (0.44) ALDH1A1MAPTSMN1; SMN2POLBKDM4E
SCHEMBL17893637 0.69 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2POLBKDM4E

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-8524906-B2 Tetrahydrothiazolopyridine inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8524906-B2 Tetrahydrothiazolopyridine inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
EP-2398810-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2011-12-28 EP disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 WO disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 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 (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-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG ALDH1A1 3251/4885MAPT 1613/4885SMN1; SMN2 1838/4885

“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.