SCHEMBL10085309

SCHEMBL10085309

CCOCCCNC(=O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
HPGD P15428 5/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL12112072 0.96 TSHR (0.54) TSHRHPGDALDH1A1KDM4EKMT2A
SCHEMBL10141271 0.94 TSHR (0.51) TSHRHPGDALDH1A1KDM4EKMT2A
SCHEMBL23442445 0.93 TSHR (0.50) TSHRHPGDALDH1A1KDM4EKMT2A
SCHEMBL3713361 0.88 KMT2A (0.57) TSHRHPGDALDH1A1KDM4EKMT2A
SCHEMBL13668152 0.88 KMT2A (0.57) TSHRHPGDALDH1A1KDM4EKMT2A
SCHEMBL12543137 0.87 MAPT (0.48) TSHRHPGDALDH1A1KDM4EKMT2A
SCHEMBL12543410 0.87 MAPT (0.55) TSHRHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL24607334 0.85 MAPT (0.50) TSHRKMT2AMEN1
SCHEMBL12566094 0.85 TSHR (0.54) TSHRHPGDALDH1A1KDM4EKMT2A
SCHEMBL22150373 0.85 KMT2A (0.63) TSHRHPGDALDH1A1KDM4EKMT2A

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 4 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-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20110135603-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US 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 (3 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-20110135603-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CG, PIK3CD TSHR 3561/4885HPGD 2884/4885ALDH1A1 4418/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 TSHR 1602/4885HPGD 1529/4885ALDH1A1 1079/4885
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG TSHR 3252/4885HPGD 1678/4885ALDH1A1 3251/4885

“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.