SCHEMBL4026385

SCHEMBL4026385

CC1(C)CC(SCc2c(C(F)(F)F)nn(-c3ccccc3)c2O)=NO1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.34
CYP2C19 P33261 2/20 0.31
GRIA2 P42262 2/20 0.31
CYP2C9 P11712 1/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
PTGS2 P35354 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3380850 0.89 ADAMTS5 (0.34) ADAMTS5
SCHEMBL3382253 0.88 ADAMTS5 (0.35) ADAMTS5PTGS2
SCHEMBL3381612 0.86 ADAMTS5 (0.33) ADAMTS5CYP2C19GRIA2CYP2C9
SCHEMBL3379923 0.86 ADAMTS5 (0.36) ADAMTS5ALDH1A1GAAMAPT
SCHEMBL1935019 0.82 GAA (0.32) GAA
SCHEMBL3741118 0.73 CYP2C9 (0.33) CYP2C19CYP2C9ALDH1A1GAA
SCHEMBL4030626 0.71
SCHEMBL3383844 0.71 CYP1A2 (0.34) ADAMTS5CYP2C19CYP2C9ALDH1A1POLB
SCHEMBL3382189 0.71 MEN1 (0.30)
SCHEMBL19510500 0.71 GAA (0.33) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1767528-B1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2014-09-17 EP disclosed
US-7488831-B2 Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-10 US disclosed
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-09 US disclosed
EP-1767528-A1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2007-03-28 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 (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-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 ADAMTS5 1496/4885CYP2C19 28/4885GRIA2 907/4885

“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.