SCHEMBL4892791

SCHEMBL4892791

O=S(=O)(OC1C2CC3CC(C2)CC1C3)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HSD11B1 P28845 1/20 0.31

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
SCHEMBL15205963 0.84 CA1 (0.31) CA1CA2
SCHEMBL444398 0.80 CA2 (0.41) CA1CA2
SCHEMBL18195858 0.76 EPHX1 (0.32) CA1CA2HSD11B1
SCHEMBL28484451 0.76 SCN9A (0.33) CA1CA2HSD11B1
SCHEMBL17782144 0.71 HSD11B1 (0.37) CA1CA2HSD11B1
SCHEMBL18195928 0.70 EPHX1 (0.36) CA1CA2HSD11B1
SCHEMBL18195929 0.69
SCHEMBL23492856 0.67
SCHEMBL11114333 0.67 ITPR3 (0.31)
SCHEMBL28533395 0.66 MAPK1 (0.44) CA1CA2HSD11B1

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-8822707-B2 Nucleophile assisting leaving groups FLORIDA ATLANTIC UNIVERSITY (US) 2014-09-02 US disclosed
US-20080221347-A1 Oligoether, crown ether linked to an acyclic or cyclic group linked with a sulfonate or silanol leaving group to an alkyl group, an alkenyl group, an alkynyl group or an optionally substituted aromatic or heteroaryl group; stabilized leaving group is more easily displaced NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-11 US disclosed
WO-2006060142-A2 NUCLEOPHILE ASSISTING LEAVING GROUPS FLORIDA ATLANTIC UNIVERSITY (US) 2006-06-08 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-20080221347-A1 Oligoether, crown ether linked to an acyclic or cyclic group linked with a sulfonate or silanol leaving group to an alkyl group, an alkenyl group, an alkynyl group or an optionally substituted aromatic or heteroaryl group; stabilized leaving group is more easily displaced OSTC, STS, TST CA1 1963/4885CA2 1163/4885HSD11B1 1544/4885

“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.