SCHEMBL19086685

SCHEMBL19086685

O=C(N[C@H]1CCC[C@@H]1OC(F)F)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.53
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
CPB1 P15086 2/20 0.49
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
TACR1 P25103 2/20 0.46
DPP4 P27487 1/20 0.45
KCNH2 Q12809 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSL P07711 1/20 0.45

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
SCHEMBL30482174 1.00 CASP3 (0.53) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL30963623 1.00 CASP3 (0.53) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL30482121 0.94 CASP3 (0.49) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL25376757 0.93 CASP3 (0.48) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL25375808 0.92 CASP3 (0.47) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL2496620 0.84 CPB1 (0.48) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL19630135 0.84 CPB1 (0.58) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL20749075 0.84 CPB1 (0.58) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL28914414 0.84 CPB1 (0.58) CASP3ALDH1A1GAACPB1TSHR
SCHEMBL28914412 0.84 CPB1 (0.58) CASP3ALDH1A1GAACPB1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190116-B1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO LTD (JP) 2020-08-05 EP disclosed
US-9999622-B2 Pyrazolothiazole compound and medicine comprising same NIPPON SHINYAKU CO., LTD. (JP) 2018-06-19 US disclosed
US-9937176-B2 Pyrazolothiazole compound and medicine comprising same NIPPON SHINYAKU CO., LTD. (JP) 2018-04-10 US disclosed
US-20180092919-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO., LTD. (JP) 2018-04-05 US disclosed
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO., LTD. (JP) 2017-09-07 US disclosed
EP-3190116-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2017-07-12 EP 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-20180092919-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 CASP3 1872/4885ALDH1A1 1360/4885GAA 3808/4885
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 CASP3 1872/4885ALDH1A1 1360/4885GAA 3808/4885

“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.