SCHEMBL13508602

SCHEMBL13508602

CC(C)(C)CC1CCCN1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
HCRTR2 O43614 1/20 0.33
TP53 P04637 2/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
ALDH1A1 P00352 3/20 0.32
ACHE P22303 1/20 0.31
KMT2A Q03164 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
ATM Q13315 1/20 0.31
HTR7 P34969 3/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
HTR1D P28221 2/20 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
SCHEMBL13726382 1.00 PER2 (0.33) PER2CRY1CRY2HCRTR2TP53
SCHEMBL13726972 1.00 PER2 (0.33) PER2CRY1CRY2HCRTR2TP53
SCHEMBL9917334 0.95 PSEN1 (0.37) PER2CRY1CRY2TP53PSEN1
SCHEMBL18988685 0.84 CASP3 (0.34) PER2CRY1CRY2HCRTR2TP53
SCHEMBL15727557 0.79 PSEN1 (0.47) PER2CRY1CRY2TP53PSEN1
SCHEMBL14922228 0.79 PSEN1 (0.47) PER2CRY1CRY2TP53PSEN1
SCHEMBL13237412 0.79 PSEN1 (0.47) PER2CRY1CRY2TP53PSEN1
SCHEMBL23775277 0.77 HCRTR2 (0.37) PER2CRY1CRY2HCRTR2TP53
SCHEMBL14012780 0.77 POLB (0.47) PER2CRY1CRY2HCRTR2TP53
SCHEMBL14401842 0.77 POLB (0.47) PER2CRY1CRY2HCRTR2TP53

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-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 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 (2 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-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 PER2 1765/4885CRY1 1817/4885CRY2 1644/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 PER2 1369/4885CRY1 2185/4885CRY2 1516/4885

“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.