SCHEMBL19181540

SCHEMBL19181540

C1CCC([C]2CCCCO2)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL25246055 0.98 CA1 (0.39) CA1CA9
SCHEMBL25244924 0.93 CA1 (0.39) CA1CA9
SCHEMBL156244 0.91
SCHEMBL7462821 0.91
SCHEMBL25355176 0.90
SCHEMBL6234011 0.90
SCHEMBL6322553 0.88
SCHEMBL25356175 0.85
SCHEMBL158642 0.85
SCHEMBL9297263 0.82

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
CN-111757866-A Direct oxidative amination of hydrocarbons 斯克利普斯研究所 2020-10-09 CN disclosed
US-9962389-B2 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-08 US disclosed
US-20170217949-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-03 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-20170217949-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP PAH, NAT1, SULT2A1 CA1 4858/4885CA9 4843/4885

“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.