SCHEMBL4285343

SCHEMBL4285343

COC(=O)c1[c]cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
CFTR P13569 5/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
LDHA P00338 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
ADORA3 P0DMS8 3/20 0.36
MAPT P10636 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
TSHR P16473 3/20 0.36
CACNA1C Q13936 3/20 0.36
NFKB1 P19838 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL27855180 0.84 MAOA (0.38) NOTUMGAAALDH1A1HPGDLMNA
SCHEMBL4287351 0.80 GAA (0.41) CFTRGAAALDH1A1LMNACYP1A2
SCHEMBL21268159 0.78 KCNK3 (0.40) NOTUMGAAALDH1A1TSHRMEN1
SCHEMBL17977340 0.77 MAOB (0.38) GAAALDH1A1HPGDLMNATDP1
SCHEMBL27579614 0.77 ALDH1A1 (0.41) CFTRGAAKDM4EALDH1A1HPGD
SCHEMBL5493891 0.76 BACE1 (0.43) CFTR
SCHEMBL7471896 0.75 CA1 (0.53) CFTRGAAKDM4EALDH1A1HPGD
SCHEMBL670604 0.75 LMNA (0.50) CFTRKDM4EALDH1A1GLALMNA
SCHEMBL1967335 0.75 TSHR (0.41) CFTRGAAKDM4EALDH1A1LMNA
SCHEMBL7475976 0.75 SLC6A3 (0.35) NOTUMCFTRGLACYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 NOTUM 2546/4885CFTR 4466/4885GAA 4716/4885

“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.