SCHEMBL1682702

SCHEMBL1682702

Cn1nccc1-c1csc(C(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
COMT P21964 1/20 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
SCHEMBL1682685 0.84 MEN1 (0.41) CTSAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5048867 0.74 ECE1 (0.42) ALDH1A1KDM4ERAB9ANPC1LMNA
SCHEMBL1682677 0.73 HDAC8 (0.43) HDAC8
SCHEMBL31216495 0.73 GSK3B (0.40) KDM4ERAB9ACYP3A4CYP2D6POLB
SCHEMBL676174 0.73 ALDH1A1 (0.51) ALDH1A1KDM4ERAB9ANPC1LMNA
SCHEMBL31704800 0.71 KDM4E (0.48) ALDH1A1KDM4ERAB9ANPC1LMNA
SCHEMBL17130043 0.71 COMT (0.37) ALDH1A1KDM4ERAB9ANPC1LMNA
SCHEMBL16834639 0.71 KDM4E (0.48) ALDH1A1KDM4ERAB9ANPC1LMNA
SCHEMBL1640504 0.71 ITGB1 (0.39) CTSAALDH1A1KDM4ERAB9ANPC1
SCHEMBL1682693 0.71 KMT2A (0.36) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160256-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
US-20110160256-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
US-20110160256-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
EP-2303258-A1 INHIBITORS OF AKT ACTIVITY GlaxoSmithKline LLC (US) 2011-04-06 EP disclosed
WO-2009158376-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 WO disclosed
WO-2009158376-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 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-20110160256-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PIK3CA CTSA 2431/4885ALDH1A1 4692/4885KDM4E 2097/4885

“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.