SCHEMBL858994

SCHEMBL858994

CC(C)(C)c1ncccc1S(N)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.53
CA2 P00918 9/20 0.53
CA9 Q16790 5/20 0.53
MAPK1 P28482 2/20 0.53
FTO Q9C0B1 1/20 0.45
LMNA P02545 3/20 0.44
AR P10275 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CA6 P23280 3/20 0.41
CA12 O43570 3/20 0.41
CA4 P22748 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41

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
SCHEMBL486014 0.83 CA2 (0.51) CA1CA2CA9MAPK1FTO
SCHEMBL579071 0.82 CA2 (0.47) CA1CA2CA9MAPK1FTO
SCHEMBL29469809 0.78 CA1 (0.58) CA1CA2CA9MAPK1FTO
SCHEMBL2227362 0.78 CA1 (0.58) CA1CA2CA9MAPK1FTO
Hydrochloric Acid SCHEMBL29970142 0.76 CA1 (0.56) CA1CA2CA9MAPK1FTO
SCHEMBL10414792 0.76 CA2 (0.36) CA1CA2CA9MAPK1FTO
SCHEMBL7456332 0.75 ALDH1A1 (0.39) CA1CA2CA9MAPK1FTO
SCHEMBL10690230 0.74 HPGD (0.40) CA1CA2CA9MAPK1FTO
SCHEMBL10480797 0.74 CA1 (0.58) CA1CA2CA9MAPK1FTO
SCHEMBL30203439 0.74 CA1 (0.58) CA1CA2CA9MAPK1FTO

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
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2020-07-02 US disclosed
CN-106459063-A MERKs-specific pyrimidine compounds 北卡罗来纳-查佩尔山大学 2017-02-22 CN disclosed
EP-2432782-A1 METHODS FOR THE IDENTIFICATION OF PHOSPHATIDYLINOSITOL KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF PHOSPHATIDYLINOSITOL KINASE PROTEINS CELLZOME AG (DE) 2012-03-28 EP disclosed
WO-2010133318-A1 METHODS FOR THE IDENTIFICATION OF PHOSPHATIDYLINOSITOL KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF PHOSPHATIDYLINOSITOL KINASE PROTEINS CELLZOME AG (DE) 2010-11-25 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-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR CA1 4540/4885CA2 3770/4885CA9 4552/4885

“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.