SCHEMBL4117906

SCHEMBL4117906

COc1cccc(C(=O)c2cc(F)ccc2NC(=O)O)c1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 4/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42

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
SCHEMBL13776007 0.86 GAA (0.46) GAATP53SMN1; SMN2RAB9ANPC1
SCHEMBL4126866 0.82 KEAP1 (0.49) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL20423296 0.79 CYP1A2 (0.61) GAATP53SMN1; SMN2RAB9ANPC1
SCHEMBL4122118 0.78 TP53 (0.56) GAATP53SMN1; SMN2RAB9ANPC1
SCHEMBL22125703 0.77 MAPT (0.59) GAATP53SMN1; SMN2RAB9ANPC1
SCHEMBL4113210 0.76 GAA (0.60) GAATP53SMN1; SMN2LMNAMAPT
SCHEMBL4115436 0.76 MEN1 (0.49) GAATP53SMN1; SMN2RAB9ALMNA
SCHEMBL1012748 0.72 KMT2A (0.49) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL11068512 0.72 MAPT (0.57) GAATP53SMN1; SMN2RAB9ANPC1
SCHEMBL4118366 0.72 KDM4E (0.46) GAATP53SMN1; SMN2RAB9ANPC1

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR GAA 922/4885TP53 4463/4885SMN1; SMN2 4445/4885

“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.