SCHEMBL538317

SCHEMBL538317

Cn1nc(C(F)(F)F)c(CO)c1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.34
PROKR1 Q8TCW9 3/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
GRM5 P41594 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.30
CYP3A4 P08684 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
SCHEMBL5177520 0.85 SMN1; SMN2 (0.32) SMN1; SMN2CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL537606 0.77 SMN1; SMN2 (0.37) ALOX5APFEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL537595 0.75 SMN1; SMN2 (0.38) ALOX5APFEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL4173041 0.75 SMN1; SMN2 (0.36) ALOX5APFEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL537532 0.74 SMN1; SMN2 (0.35) ALOX5APFEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL537622 0.74 SMN1; SMN2 (0.35) ALOX5APFEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL3383842 0.73
SCHEMBL3381024 0.72 FPR2 (0.32) FPR2PROKR1
SCHEMBL13451291 0.72 ALOX5AP (0.38) ALOX5APFEN1CYP1A2CYP2C9CYP2C19
SCHEMBL14364494 0.72 FPR2 (0.32) FPR2PROKR1

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-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-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

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-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound CYP4F3, ADH5, CYP3A4 FPR2 814/4885PROKR1 4566/4885ALOX5AP 1434/4885

“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.