SCHEMBL537532

SCHEMBL537532

CC(C)Oc1c(CO)c(C(F)(F)F)nn1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.32
CCR1 P32246 1/20 0.31
PTGER4 P35408 1/20 0.31
GAA P10253 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL537622 0.88 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL537606 0.82 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4173041 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL537595 0.79 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4159027 0.76 SMN1; SMN2 (0.34) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL537624 0.75 SMN1; SMN2 (0.33) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL538317 0.74 FPR2 (0.34) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5378880 0.73 ALOX5AP (0.39) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL22716459 0.73 KMT2A (0.35) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL939159 0.73 MPO (0.41) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9

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 SMN1; SMN2 4556/4885MEN1 3184/4885KMT2A 841/4885

“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.