SCHEMBL956833

SCHEMBL956833

Cc1nn2ccsc2c1-c1nc(C(=O)O)c(-c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.38
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 2/20 0.35
PTGER1 P34995 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
CASP3 P42574 1/20 0.34
KMT2A Q03164 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL954471 0.91 SMN1; SMN2 (0.36) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL954223 0.82 CDC7 (0.48) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL955757 0.79 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL952078 0.78 CDC7 (0.50) SMN1; SMN2KDM4ENPC1RAB9AMAPT
Acetic Acid SCHEMBL952870 0.76 ADORA2A (0.33) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL958297 0.76 PDPK1 (0.39) SMN1; SMN2KDM4ENPC1RAB9AMAPT
Acetic Acid SCHEMBL953502 0.76 KDM5B (0.32) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL13257022 0.75 KDM4E (0.55) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL958333 0.75 CDC7 (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6842784 0.75 KDM5B (0.32) SMN1; SMN2KDM4ENPC1RAB9ALMNA

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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 SMN1; SMN2 3758/4885KDM4E 1981/4885NPC1 458/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SMN1; SMN2 3959/4885KDM4E 2304/4885NPC1 1316/4885

“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.