SCHEMBL537451

SCHEMBL537451

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
PTGS2 P35354 3/20 0.48
F10 P00742 2/20 0.46
TRPV1 Q8NER1 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.42
CRACR2A Q9BSW2 1/20 0.42
PTGS1 P23219 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SYK P43405 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDK2 Q15119 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL537610 0.82 CYP2C9 (0.56) CYP2C9PTGS2F10TRPV1CRACR2A
SCHEMBL25251421 0.81 THRB (0.48) PTGS2THRBLMNACRACR2APTGS1
SCHEMBL8638779 0.79 PTGS2 (0.79) CYP2C9PTGS2PTGS1
SCHEMBL7397066 0.77 PTGS2 (0.68) CYP2C9PTGS2F10THRBPTGS1
SCHEMBL537392 0.75 PTGS2 (0.65) PTGS2THRBCRACR2ATP53MAPT
SCHEMBL537426 0.75 ALDH1A1 (0.49) PTGS1TP53MAPTALDH1A1HPGD
SCHEMBL31420366 0.74 PTGS2 (0.58) CYP2C9PTGS2CRACR2APTGS1MAPT
SCHEMBL538151 0.73 PTGS2 (0.51) CYP2C9PTGS2PTGS1
SCHEMBL537395 0.73 PTGS1 (0.65) CYP2C9PTGS2LMNAPTGS1TP53
SCHEMBL25235132 0.73 CYP2C9 (0.65) CYP2C9PTGS2F10LMNAPTGS1

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-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
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 81/4885PTGS2 1612/4885F10 574/4885
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 CYP2C9 36/4885PTGS2 413/4885F10 638/4885

“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.