SCHEMBL3576104

SCHEMBL3576104

CCOc1cc(C(=O)OC)cc(N)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.49
HSD17B10 Q99714 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CREBBP Q92793 2/20 0.48
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
GAA P10253 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 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
SCHEMBL1457740 0.84 GAA (0.53) USP2HSD17B10SMN1; SMN2LMNAHTT
SCHEMBL25980683 0.83 USP2 (0.50) USP2HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL10682349 0.82 TSHR (0.50) USP2HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL25902206 0.82 HTT (0.52) USP2HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL2965222 0.82 USP2 (0.49) USP2HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL5219803 0.82 KDM4E (0.56) USP2HSD17B10NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10410179 0.80 KDM4E (0.55) USP2HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3570164 0.79 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2CREBBPLMNA
SCHEMBL25337733 0.78 USP2 (0.73) USP2HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL223446 0.78 HSD17B10 (0.55) USP2HSD17B10NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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 (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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 USP2 4295/4885HSD17B10 2890/4885NPC1 3153/4885

“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.