SCHEMBL1557549

SCHEMBL1557549

CC(=O)N(C)c1ccc(OB(O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 6/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 4/20 0.44
SRD5A1 P18405 6/20 0.43
NPC1 O15118 2/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL14341655 0.79 SMN1; SMN2 (0.61) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL2537515 0.79 ALDH1A1 (0.71) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL659064 0.78 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTMAPK1RAB9A
SCHEMBL8970607 0.77 SMN1; SMN2 (0.57) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL2537514 0.77 SMN1; SMN2 (0.57) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL15504635 0.76 MAPT (0.57) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL12266129 0.76 SMN1; SMN2 (0.50) SMN1; SMN2POLBALDH1A1HTTMAPT
Hydrochloric Acid SCHEMBL29005233 0.76 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTMAPK1RAB9A
SCHEMBL27760232 0.75 KDM4E (0.55) SMN1; SMN2ALDH1A1HTTLMNARAB9A
SCHEMBL3832407 0.74 ALDH1A1 (0.77) SMN1; SMN2POLBALDH1A1HTTMAPT

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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 US disclosed
EP-2303890-A2 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS Progenics Pharmaceuticals, Inc. (US) 2011-04-06 EP disclosed
WO-2009155527-A9 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2010-05-06 WO disclosed
WO-2009155527-A2 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2009-12-23 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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PIK3CA, AKT1, PIK3R5 SMN1; SMN2 1839/4885POLB 2074/4885ALDH1A1 4549/4885

“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.