SCHEMBL16340795

SCHEMBL16340795

O=[C]C1CCCc2ccccc2S1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
IDO1 P14902 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAS1R2 Q8TE23 2/20 0.32

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
SCHEMBL7783911 0.89 SIGMAR1 (0.39) SIGMAR1ALDH1A1
SCHEMBL10443763 0.78 ALDH1A1 (0.33) TSHRALDH1A1KDM4E
SCHEMBL6666465 0.75 SIGMAR1 (0.39) SIGMAR1IDO1
SCHEMBL3638085 0.73 TSHR (0.39) TSHRHTTSIGMAR1IDO1ALDH1A1
SCHEMBL7141643 0.71 SIGMAR1 (0.39) SIGMAR1IDO1
SCHEMBL30715562 0.71 SIGMAR1 (0.39) SIGMAR1IDO1
SCHEMBL7146521 0.69 SIGMAR1 (0.38) TSHRHTTSIGMAR1IDO1ALDH1A1
SCHEMBL6721448 0.66 SIGMAR1 (0.43) TSHRSIGMAR1IDO1
SCHEMBL8765441 0.66 SIGMAR1 (0.35) SIGMAR1
SCHEMBL1756937 0.66 IDO1 (0.49) HTTIDO1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
EP-2963037-A1 NOVEL PYRAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2016-01-06 EP disclosed
US-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 US disclosed
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 US disclosed
US-8980888-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-8980889-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 US disclosed
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 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 (6 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-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TSHR 3980/4885HTT 1143/4885SIGMAR1 2001/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TSHR 3980/4885HTT 1143/4885SIGMAR1 2001/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TSHR 3980/4885HTT 1143/4885SIGMAR1 2001/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TSHR 3980/4885HTT 1143/4885SIGMAR1 2001/4885
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TSHR 3980/4885HTT 1143/4885SIGMAR1 2001/4885
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TSHR 3980/4885HTT 1143/4885SIGMAR1 2001/4885

“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.