SCHEMBL10277329

SCHEMBL10277329

COCCN(CC(F)(F)F)c1nc(C(=O)O)cs1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PTGER1 P34995 4/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
RIPK1 Q13546 1/20 0.34
HDAC4 P56524 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL3435203 0.87 RAB9A (0.46) ALDH1A1GAASMN1; SMN2KDM4ERAB9A
SCHEMBL3551333 0.79 ALDH1A1 (0.41) ALDH1A1GAATP53RAB9AMEN1
Hydrochloric Acid SCHEMBL2077470 0.78 ALDH1A1 (0.40) ALDH1A1GAATP53RAB9AMEN1
SCHEMBL13634317 0.75 ALDH1A1 (0.39) ALDH1A1GAATP53RAB9AMEN1
SCHEMBL18674681 0.74 RAB9A (0.39) ALDH1A1GAASMN1; SMN2KDM4ETP53
SCHEMBL3436205 0.73 PTGDR2 (0.38) ALDH1A1GAATP53RAB9AMEN1
SCHEMBL3557687 0.72 PTGDR2 (0.42) ALDH1A1GAATP53RAB9AMEN1
SCHEMBL13924180 0.72 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2KDM4EMEN1
SCHEMBL18678204 0.70 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2KDM4ETP53
SCHEMBL3550333 0.69 MMP13 (0.50) ALDH1A1SMN1; SMN2RAB9APTGER1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ALDH1A1 975/4885GAA 3904/4885SMN1; SMN2 3601/4885

“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.