SCHEMBL337290

SCHEMBL337290

CC(C)(C)OC(=O)NCCNCc1cc(C(=O)OC(C)(C)C)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
NQO2 P16083 1/20 0.38
CDK2 P24941 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
LATS1 O95835 1/20 0.36
KDM4A O75164 1/20 0.36
SLC7A5 Q01650 1/20 0.36
BCHE P06276 1/20 0.36
SERPINE1 P05121 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSS P25774 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
SCHEMBL5972545 0.93 MAOA (0.44) IDO1GAATDP1BRD4
SCHEMBL5972486 0.92 MAOA (0.46) KDM4EGAAMAPTBCHETDP1
SCHEMBL5972544 0.88 CA1 (0.40) IDO1GAATDP1BRD4
SCHEMBL6810675 0.84 BRD4 (0.45) GAATDP1BRD4
SCHEMBL6811048 0.83 MAOA (0.46) GAABCHETDP1BRD4
SCHEMBL4025027 0.81 KMT2A (0.50) KDM4EALDH1A1MAPTSLC7A5TDP1
SCHEMBL18198091 0.81 RIPK1 (0.50) IDO1NQO2MALT1BCHECTSS
SCHEMBL4022762 0.81 GABRA1 (0.39) SLC7A5
SCHEMBL5972543 0.80 SIGMAR1 (0.42) GAATDP1BRD4
SCHEMBL4024746 0.80 SMN1; SMN2 (0.47) KDM4EALDH1A1SLC7A5TDP1

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-1443963-B1 ANTIBODY TARGETING COMPOUNDS SCRIPPS RESEARCH INST (US) 2014-05-21 EP disclosed
US-8252902-B2 Complexing antigen, antibodies; immunoassay THE SCRIPPS RESEARCH INSTITUTE (US) 2012-08-28 US disclosed
EP-2428226-A1 Antibody targeting compounds THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-14 EP disclosed
US-20110117651-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION KYOTO UNIVERSITY (JP) 2011-05-19 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-20110117651-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION EPCAM, HDGF, DSC1 IDO1 4166/4885NQO2 3347/4885CDK2 2589/4885

“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.