SCHEMBL21155856

SCHEMBL21155856

CC(CN(CC#N)CC#N)S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
MAPK1 P28482 1/20 0.48
DPP4 P27487 3/20 0.38
GLA P06280 1/20 0.33

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
Water SCHEMBL30441965 0.77 SCN1A (0.34)
SCHEMBL1191609 0.72 TP53 (0.31)
SCHEMBL11702536 0.72 CYP1A2 (0.58) CYP1A2MAPK1DPP4
SCHEMBL30173247 0.71 KDM4E (0.33)
SCHEMBL20000110 0.71 CYP1A2 (0.90) CYP1A2MAPK1DPP4
SCHEMBL18072159 0.69 CYP1A2 (0.50) CYP1A2MAPK1DPP4
SCHEMBL5913713 0.69 ALDH1A1 (0.32) MAPK1
SCHEMBL28371972 0.67 ALDH1A1 (0.31)
SCHEMBL236516 0.66 CYP1A2 (1.00) CYP1A2MAPK1DPP4
SCHEMBL17873202 0.66 CYP1A2 (0.56) CYP1A2MAPK1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211256-A1 SULFONATED IMINODIALKANOIC ACIDS FORMED FROM AN IMINODIALKYLNITRILE AND A SULTONE AND METHODS FOR USE THEREOF HALLIBURTON ENERGY SERVICES, INC. (US) 2019-07-11 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-20190211256-A1 SULFONATED IMINODIALKANOIC ACIDS FORMED FROM AN IMINODIALKYLNITRILE AND A SULTONE AND METHODS FOR USE THEREOF STS, TST, SI CYP1A2 3826/4885MAPK1 3611/4885DPP4 2355/4885

“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.