SCHEMBL537610

SCHEMBL537610

CN(C)C(=O)Cc1ccc(-n2nc(C(F)(F)F)cc2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.56
GRIA2 P42262 2/20 0.56
PTGS2 P35354 5/20 0.48
CARM1 Q86X55 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TRPV1 Q8NER1 3/20 0.42
F10 P00742 2/20 0.42
PTGS1 P23219 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KLKB1 P03952 1/20 0.40
CRACR2A Q9BSW2 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDPK1 O15530 1/20 0.39

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
SCHEMBL537451 0.82 CYP2C9 (0.49) CYP2C9PTGS2TRPV1F10PTGS1
SCHEMBL537516 0.77 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL537426 0.75 ALDH1A1 (0.49) HDAC4HDAC6PTGS1KDM4E
SCHEMBL31420366 0.74 PTGS2 (0.58) CYP2C9PTGS2HDAC4HDAC6PTGS1
SCHEMBL538151 0.73 PTGS2 (0.51) CYP2C9PTGS2HDAC4HDAC6PTGS1
SCHEMBL537395 0.73 PTGS1 (0.65) CYP2C9PTGS2PTGS1KDM4EKLKB1
SCHEMBL25235132 0.73 CYP2C9 (0.65) CYP2C9GRIA2PTGS2HDAC4HDAC6
SCHEMBL537392 0.73 PTGS2 (0.65) PTGS2CRACR2APDPK1
SCHEMBL25251421 0.73 THRB (0.48) PTGS2HDAC4HDAC6PTGS1KDM4E
SCHEMBL7402120 0.72 PTGS2 (0.65) CYP2C9PTGS2TRPV1PTGS1KDM4E

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
EP-1990336-B1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2012-02-08 EP disclosed
US-7812175-B2 Process for production of 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-12 US disclosed
US-7488831-B2 Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-10 US disclosed
US-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound IHARA CHEMICAL INDUSTRY CO., LTD (JP) 2009-02-05 US disclosed
EP-1990336-A1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2008-11-12 EP 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 (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-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound CYP4F3, ADH5, CYP3A4 CYP2C9 81/4885GRIA2 2058/4885PTGS2 1612/4885
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 CYP2C9 36/4885GRIA2 907/4885PTGS2 413/4885

“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.