SCHEMBL537392

SCHEMBL537392

CC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2O)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.65
TP53 P04637 2/20 0.52
ORAI1 Q96D31 4/20 0.51
THRB P10828 1/20 0.51
MAPT P10636 5/20 0.50
CRACR2A Q9BSW2 4/20 0.50
TRPC3 Q13507 2/20 0.49
TRPC5 Q9UL62 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
TRPC1 P48995 1/20 0.47
STIM1 Q13586 1/20 0.47
KCNJ6 P48051 1/20 0.47
KCNJ5 P48544 1/20 0.47
KCNJ3 P48549 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.47
PDPK1 O15530 1/20 0.47

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
SCHEMBL7325234 0.86 ORAI1 (0.67) PTGS2TP53ORAI1THRBMAPT
SCHEMBL25251421 0.78 THRB (0.48) PTGS2TP53ORAI1THRBMAPT
SCHEMBL7314655 0.78 ORAI1 (0.81) TP53ORAI1THRBMAPTCRACR2A
SCHEMBL8955949 0.78 PTGS2 (0.77) PTGS2
SCHEMBL22842672 0.78 ORAI1 (0.59) PTGS2TP53ORAI1THRBMAPT
SCHEMBL31420366 0.77 PTGS2 (0.58) PTGS2ORAI1MAPTCRACR2APDPK1
SCHEMBL6013902 0.77 PTGS2 (0.77) PTGS2TSHRPDPK1
SCHEMBL538151 0.76 PTGS2 (0.51) PTGS2PDPK1
SCHEMBL537395 0.76 PTGS1 (0.65) PTGS2TP53MAPTSMN1; SMN2KCNJ6
SCHEMBL25729256 0.76 CDK8 (0.62) PTGS2TRPC3KCNJ6KCNJ5KCNJ3

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 PTGS2 1612/4885TP53 3793/4885ORAI1 4128/4885
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 PTGS2 413/4885TP53 2939/4885ORAI1 3184/4885

“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.