SCHEMBL4035995

SCHEMBL4035995

CCOC(=O)c1cnc(S)n1-c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
ALDH1A1 P00352 10/20 0.48
MAPT P10636 4/20 0.48
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 3/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL14249281 0.89 POLB (0.47) ALDH1A1MAPTRAB9AHPGDHTT
SCHEMBL22200913 0.82 TSHR (0.47) ALDH1A1MAPTRAB9ANPC1CYP2C19
SCHEMBL8279471 0.77 CYP2C19 (0.33) ALDH1A1MAPTRAB9AHPGDCYP2C19
SCHEMBL4036284 0.77 SMN1; SMN2 (0.36) ALDH1A1MAPTHPGDCYP2C19SMN1; SMN2
SCHEMBL4036279 0.76 SMN1; SMN2 (0.37) IDO1ALDH1A1MAPTRAB9AHPGD
SCHEMBL998243 0.76 IDO1 (0.43) IDO1RAB9ANPC1CYP2C19SMN1; SMN2
SCHEMBL31082928 0.76 GAA (0.50) ALDH1A1MAPTHPGDHTTNPSR1
SCHEMBL20028264 0.74 ALDH1A1 (0.57) ALDH1A1MAPTRAB9AHPGDNPC1
SCHEMBL14249218 0.73 LMNA (0.47) ALDH1A1MAPTRAB9AHPGDHTT
SCHEMBL14248904 0.72 POLB (0.46) ALDH1A1MAPTRAB9AHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722785-A4 ION CHANNEL MODULATORS WYETH CORP (US) 2009-07-08 EP disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070208064-A1 Ion channel modulators WYETH (US) 2007-09-06 US disclosed
US-20070208064-A1 Ion channel modulators WYETH (US) 2007-09-06 US disclosed
US-20070208064-A1 Ion channel modulators WYETH (US) 2007-09-06 US disclosed
EP-1722785-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
EP-1723117-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005087228-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005087228-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005086836-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 IDO1 4094/4885ALDH1A1 3706/4885MAPT 490/4885
US-20070208064-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 IDO1 4094/4885ALDH1A1 3706/4885MAPT 490/4885

“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.