SCHEMBL1613836

SCHEMBL1613836

COc1cc(COC(C)C)cc(OC)c1Br

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPN1 P18031 1/20 0.36
FOS P01100 1/20 0.36
TTR P02766 1/20 0.36
JUN P05412 1/20 0.36
NR3C1 P04150 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
CA2 P00918 3/20 0.35
PTGS2 P35354 1/20 0.35
HTR2A P28223 3/20 0.35
TAAR1 Q96RJ0 2/20 0.35
CA1 P00915 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 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
SCHEMBL3043068 0.86 CA2 (0.35) MAPTNPSR1FOSTTRJUN
SCHEMBL27650457 0.82 PTGS2 (0.55) MAPTPTGS2HTR2A
SCHEMBL3044667 0.82 LMNA (0.40) FOSTTRJUNNR3C1HSD17B1
SCHEMBL3036388 0.80 ALDH1A1 (0.34) FOSTTRJUNNR3C1HSD17B1
SCHEMBL3037185 0.79 PTGS2 (0.40) MAPTNPSR1PTPN1CA2PTGS2
SCHEMBL24703587 0.79 SRC (0.43) MAPTPTGS2HTR2A
SCHEMBL19129605 0.77 CA2 (0.59) CA2
SCHEMBL12712736 0.77 FOS (0.37) PTPN1FOSTTRJUNNR3C1
SCHEMBL31063263 0.77 MAPT (0.49) MAPT
SCHEMBL4964961 0.76 PTPN1 (0.34) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
EP-2487178-A1 PYRAZOLOTHIAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2012-08-15 EP disclosed
US-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 US disclosed
US-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 US disclosed
US-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 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-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND CRHR1, CNR1, AGTR1 MAPT 4509/4885NPSR1 5/4885PTPN1 620/4885

“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.