SCHEMBL4893558

SCHEMBL4893558

CCCCCCCOC(=O)c1ccccc1S(=O)(=O)Cl

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
TSHR P16473 5/20 0.70
LMNA P02545 3/20 0.70
MAPK1 P28482 3/20 0.68
CYP3A4 P08684 2/20 0.68
TP53 P04637 1/20 0.68
KDM4E B2RXH2 3/20 0.62
HSD17B10 Q99714 2/20 0.62
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
STS P08842 5/20 0.47

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
SCHEMBL9729928 0.88 ALDH1A1 (0.67) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL9717121 0.87 ALDH1A1 (0.72) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL8009092 0.87 ALDH1A1 (0.72) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL13876479 0.87 ALDH1A1 (0.72) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL9081134 0.86 ALDH1A1 (0.70) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL8350350 0.86 ALDH1A1 (0.70) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL11327868 0.86 ALDH1A1 (0.70) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL9081136 0.86 ALDH1A1 (0.70) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL11327872 0.85 ALDH1A1 (0.68) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL27581561 0.84 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4

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 ALDH1A1 3919/4885TSHR 722/4885LMNA 1807/4885

“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.