SCHEMBL14617685

SCHEMBL14617685

CC(C)CCN(C)C(=S)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.41
ALDH1A1 P00352 1/20 0.37
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL14643205 0.80 TAS2R38 (0.36) TAS2R38
SCHEMBL14273137 0.79 TAS2R38 (0.56) TAS2R38ALDH1A1CA12CA1CA2
SCHEMBL14273135 0.74 TAS2R38 (0.50) TAS2R38ALDH1A1CA12CA1CA2
SCHEMBL14617690 0.72 TAS2R38 (0.47) TAS2R38ALDH1A1CA12CA1CA2
SCHEMBL14617687 0.71 ALDH1A1 (0.37) ALDH1A1CA12CA1CA2CA9
SCHEMBL9666884 0.68 ALDH1A1 (0.43) TAS2R38ALDH1A1CA12CA1CA2
SCHEMBL20561644 0.68 ALDH1A1 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL14273136 0.68 TAS2R38 (0.43) TAS2R38CA12CA1CA2CA9
SCHEMBL12384299 0.68 ALDH1A1 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL14273118 0.68 TAS2R38 (0.43) TAS2R38CA12CA1CA2CA9

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-9862722-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2018-01-09 US disclosed
US-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2015-11-19 US disclosed
US-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 US disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 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 (2 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-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 TAS2R38 4513/4885ALDH1A1 4515/4885CA12 4795/4885
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 TAS2R38 4513/4885ALDH1A1 4515/4885CA12 4795/4885

“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.