SCHEMBL4016629

SCHEMBL4016629

CC1=C(C2SCCCS2)CCCC1O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 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
SCHEMBL4014378 0.78
SCHEMBL4017056 0.66
SCHEMBL20038895 0.65 KDM4E (0.39) UGT2B17
SCHEMBL9883861 0.65 UGT2B17 (0.37) UGT2B17
SCHEMBL10445894 0.65 UGT2B17 (0.37) UGT2B17
SCHEMBL14394191 0.65
SCHEMBL4016494 0.64 ALDH1A1 (0.35)
SCHEMBL26667368 0.63
SCHEMBL29906669 0.62 UGT2B17 (0.32) UGT2B17
SCHEMBL1786084 0.62 UGT2B17 (0.32) UGT2B17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
US-6384045-B1 TREATMENT OF ALZHEIMER'S DISEASE AND ANTICANCER AGENTS KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2002-05-07 US disclosed
WO-1998039010-A1 TRICYCLIC AND TETRACYCLIC PYRONES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 1998-09-11 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C UGT2B17 1140/4885

“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.