SCHEMBL3022573

SCHEMBL3022573

COCc1ccc(C(C(=O)O)(C(=O)O)C(C)(C)C)c(N)c1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRKCE Q02156 1/20 0.31
RET P07949 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
SCHEMBL3022977 0.81 TDP1 (0.33) KDM4EALDH1A1HPGDPOLBL3MBTL1
SCHEMBL3005779 0.78 KDM4E (0.35) KDM4E
SCHEMBL5513040 0.69 CA2 (0.41) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL4996644 0.68 CFTR (0.37) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL3200825 0.65 HTT (0.42) KDM4EALDH1A1MAPTHPGDPRKCE
SCHEMBL27403233 0.65 RIPK1 (0.40) POLBL3MBTL1PRKCERET
SCHEMBL5006585 0.63 KDM4E (0.40) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL28808723 0.63 ALDH1A1 (0.39) KDM4EALDH1A1POLBL3MBTL1PRKCE
SCHEMBL2118434 0.61 NPC1 (0.33) KDM4E
SCHEMBL3016189 0.59 TDP1 (0.35) ALDH1A1MAPTHPGDATMPOLB

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-8278328-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 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-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 CDK8 3371/4885CDK19 3860/4885KDM4E 3584/4885

“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.