SCHEMBL3530775

SCHEMBL3530775

CCOC(=O)c1ncsc1NC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 2/20 0.46
PDE4B Q07343 2/20 0.46
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NR2F2 P24468 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
S1PR2 O95136 1/20 0.43
LMNA P02545 1/20 0.43
XBP1 P17861 1/20 0.43
PPP1CA P62136 1/20 0.43
KMT2A Q03164 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
SCHEMBL2831299 0.99 ALDH1A1 (0.50) ALDH1A1ALOX15PDE4BMAPTRAB9A
SCHEMBL2826675 0.94 POLB (0.43) ALDH1A1ALOX15PDE4BMAPTRAB9A
SCHEMBL2827434 0.79 HCAR3 (0.46) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL2825669 0.79 TSHR (0.44) ALDH1A1MAPTRAB9AKDM4EMAPK1
SCHEMBL2826267 0.78 SMN1; SMN2 (0.45) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL2832760 0.78 TSHR (0.43) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL1359449 0.78 TSHR (0.43) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL18467314 0.78 TSHR (0.43) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL2827656 0.78 HCAR3 (0.45) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL16371512 0.77 TSHR (0.46) ALDH1A1MAPTKDM4EHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US disclosed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US disclosed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
WO-2014064134-A1 3,4-DISUBSTITUTED 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-05-01 WO disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 ALDH1A1 913/4885ALOX15 3785/4885PDE4B 1236/4885
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK SYK, BTK, IRAK4 ALDH1A1 2688/4885ALOX15 2060/4885PDE4B 1269/4885

“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.