SCHEMBL15955847

SCHEMBL15955847

CC(C)CN(CC(C)C)CC(C)C.CCN(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL1746 0.82
SCHEMBL5544690 0.82 MEN1 (0.42) MEN1KMT2A
SCHEMBL7097725 0.82
SCHEMBL899432 0.79 MEN1 (0.36) MEN1KMT2A
SCHEMBL319537 0.78 MEN1 (0.40) MEN1KMT2A
SCHEMBL3210291 0.78 MEN1 (0.40) MEN1KMT2A
Fluoride SCHEMBL73855 0.78 MEN1 (0.40) MEN1KMT2A
Ammonia Solution, Strong SCHEMBL1997314 0.78 MEN1 (0.40) MEN1KMT2A
Hydrochloric Acid SCHEMBL22577541 0.78 MEN1 (0.40) MEN1KMT2A
Fluoride SCHEMBL1025917 0.78 MEN1 (0.40) MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573902-B2 Process for the preparation of Ivacaftor and its intermediates LAURUS LABS PRIVATE LTD. (IN) 2017-02-21 US claimed
US-20160016909-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS INTERMEDIATES LAURUS LABS LIMITED (IN) 2016-01-21 US claimed
WO-2014125506-A2 A PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS INTERMEDIATES LAURUS LABS PRIVATE LIMITED (IN) 2014-08-21 WO claimed

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-20160016909-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS INTERMEDIATES SLC10A2, SLC26A4, SLC10A1 CYP1A2 433/4885MAPK1 2655/4885CA12 849/4885

“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.