SCHEMBL16701459

SCHEMBL16701459

CC(C)(C)OC(=O)N(CCOS(C)(=O)=O)Cc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.40
SSTR4 P31391 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
TAS2R14 Q9NYV8 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TSPO P30536 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 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
SCHEMBL21574226 0.85 RIPK1 (0.45) RIPK1ALDH1A1KDM4ESSTR4SMN1; SMN2
SCHEMBL19208297 0.84 SSTR4 (0.39) RIPK1SSTR4HDAC3HDAC1HDAC2
SCHEMBL16701734 0.82 SSTR4 (0.55) RIPK1ALDH1A1KDM4ESSTR4SMN1; SMN2
SCHEMBL3174927 0.79 CA14 (0.42) ALDH1A1KDM4ESSTR4HDAC3HDAC1
SCHEMBL16701484 0.78 RIPK1 (0.48) RIPK1ALDH1A1KDM4ESSTR4SMN1; SMN2
SCHEMBL2797220 0.78 HDAC3 (0.47) HDAC3HDAC1HDAC2NCOR2
SCHEMBL3058840 0.78 BCHE (0.38)
SCHEMBL635013 0.78 SSTR4 (0.34) SSTR4
SCHEMBL4279466 0.75 CA14 (0.40) ALDH1A1KDM4ESSTR4
SCHEMBL28897893 0.75 LPAR1 (0.43) KDM4ESMN1; SMN2HTTTP53MAPT

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-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 US disclosed
WO-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 WO 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-20160272645-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB RIPK1 646/4885ALDH1A1 4290/4885KDM4E 1755/4885

“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.