SCHEMBL1908881

SCHEMBL1908881

CC(C)(C)CCCN1CCCS1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PER2 O15055 6/20 0.36
CRY1 Q16526 6/20 0.36
CRY2 Q49AN0 6/20 0.36
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL1908746 0.95 PER2 (0.36) PER2CRY1CRY2
SCHEMBL12384372 0.89 PER2 (0.38) PER2CRY1CRY2PDCD1CD274
SCHEMBL17575508 0.79 PSEN1 (0.33) PER2CRY1CRY2PDCD1CD274
SCHEMBL1753836 0.77 ALOX5 (0.35) PER2CRY1CRY2PDCD1CD274
SCHEMBL12228957 0.76 PER2 (0.43) PER2CRY1CRY2
SCHEMBL728955 0.76 PER2 (0.33) PER2CRY1CRY2PDCD1CD274
SCHEMBL1486529 0.75 PER2 (0.33) PER2CRY1CRY2PDCD1CD274
SCHEMBL17556101 0.75 PER2 (0.33) PER2CRY1CRY2PDCD1CD274
SCHEMBL28527867 0.75 PER2 (0.36) PER2CRY1CRY2PDCD1CD274
SCHEMBL17574698 0.74 PSEN1 (0.40) PER2CRY1CRY2PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324239-B2 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120015907-A1 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-01-19 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-20120015907-A1 Furopyridine compounds and uses thereof CYP3A5, QDPR, DPYD PER2 2755/4885CRY1 3756/4885CRY2 4212/4885

“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.