SCHEMBL3419623

SCHEMBL3419623

CC(=O)Oc1ccc(N=C=S)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
ELANE P08246 2/20 0.47
HSD17B10 Q99714 2/20 0.46
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
P2RY6 Q15077 1/20 0.44
MIF P14174 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TTR P02766 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL3420578 0.85 LMNA (0.53) LMNAMAPTPOLBPKMELANE
SCHEMBL7765430 0.82 ELANE (0.51) LMNAMAPTPOLBPKMELANE
SCHEMBL2887218 0.81 PTGS2 (0.59) LMNAMAPTHSD17B10ALDH1A1MEN1
SCHEMBL11779417 0.80 RAB9A (0.66) LMNAMAPTPKMHSD17B10GAA
SCHEMBL269329 0.78 LMNA (0.80) LMNAMAPTPOLBPKMELANE
SCHEMBL20183978 0.78 THRB (0.47) MAPTELANEHSD17B10ALDH1A1P2RY6
SCHEMBL10208135 0.78 LMNA (0.59) LMNAMAPTPOLBPKMELANE
Methacrylic Acid SCHEMBL31274994 0.76 HSD17B10 (0.39) ELANEHSD17B10P2RY6MIFCA1
SCHEMBL14760365 0.76 LMNA (0.76) LMNAMAPTPOLBPKMELANE
Lithium SCHEMBL30522746 0.76 LMNA (0.76) LMNAMAPTPOLBPKMELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662977-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-7396828-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
EP-1611119-A1 PI-3 KINASE INHIBITOR PRODRUGS Semafore Pharmaceuticals, Inc. (US) 2006-01-04 EP disclosed
US-6949537-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2005-09-27 US disclosed
US-20050203173-A1 PI-3 kinase inhibitor prodrugs SIGNALRX PHARMACEUTICALS, INC. 2005-09-15 US disclosed
US-20040242631-A1 PI-3 kinase inhibitor prodrugs SIGNALRX PHARMACEUTICALS, INC. 2004-12-02 US disclosed
WO-2004089925-A1 PI-3 KINASE INHIBITOR PRODRUGS SEMAFORE PHARMACEUTICALS, INC. (US) 2004-10-21 WO disclosed
US-4399286-A Antiarrhythmic phenethylpiperidine compounds MEAD JOHNSON & COMPANY (US) 1983-08-16 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-20050203173-A1 PI-3 kinase inhibitor prodrugs PI4KA, PI4KB, PI4K2B LMNA 3669/4885MAPT 3144/4885POLB 2276/4885
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS PI4KA, PI4KB, PI4K2B LMNA 3669/4885MAPT 3144/4885POLB 2276/4885
US-20040242631-A1 PI-3 kinase inhibitor prodrugs PI4KA, PI4KB, PI4K2B LMNA 3669/4885MAPT 3144/4885POLB 2276/4885

“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.