SCHEMBL3574673

SCHEMBL3574673

CCOc1cc(CO)cc(OCC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
MAPT P10636 1/20 0.46
DHFR P00374 1/20 0.46
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.43
CALM1 P0DP23 1/20 0.41
TUBB4A P04350 2/20 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
SCHEMBL13144363 0.88 TSHR (0.53) HTR2AHTR2CHTR2BHSD17B10TSHR
SCHEMBL8965944 0.84 HTR2A (0.62) PTGS2MAPTHTR2AHTR2CHTR2B
SCHEMBL1122521 0.83 PTGS2 (0.64) PTGS2MAPTHTR2AHTR2CHTR2B
SCHEMBL9804771 0.79 CYP3A4 (0.64) PTGS2MAPTDHFRNCOA1NCOA3
SCHEMBL3639906 0.79 HTT (0.41) MAPTHTR2AHTR2CHTR2BHSD17B10
SCHEMBL28492538 0.79 HTT (0.41) TSHRALDH1A1CYP3A4MAPK1LMNA
SCHEMBL1121604 0.78 MAPT (0.42) MAPTHTR2AHTR2CHTR2BHSD17B10
SCHEMBL6556765 0.78 HTT (0.40) MAPTHTR2AHTR2CHTR2BHSD17B10
SCHEMBL358283 0.78 LMNA (0.45) MAPTHTR2AHTR2CHTR2BHSD17B10
SCHEMBL1121343 0.78 HTT (0.40) MAPTHSD17B10TSHRALOX15ALDH1A1

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 PTGS2 837/4885MAPT 3021/4885DHFR 1224/4885

“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.