SCHEMBL10143599

SCHEMBL10143599

CCCCOCC1CCC(C#N)(N(C)C(=O)OC(C)(C)C)CO1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP4 P27487 1/20 0.31
ASGR1 P07306 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
SCHEMBL10144371 0.84 DPP4 (0.34) DPP4
SCHEMBL10144301 0.77 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1TDP1
SCHEMBL10121065 0.71
SCHEMBL29818831 0.70 CTSL (0.36) ASGR1
SCHEMBL10120885 0.67 CTSD (0.30)
SCHEMBL13255730 0.66 SPHK1 (0.38) SMN1; SMN2ALDH1A1TDP1
SCHEMBL10144487 0.65 SPHK1 (0.39)
SCHEMBL17695815 0.64 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TDP1ASGR1
SCHEMBL14755323 0.64 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TDP1
SCHEMBL10120950 0.64 ASGR1 (0.34) ASGR1

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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS VENKATRAMAN SHANKAR (US) 2012-01-26 US disclosed
WO-2010088167-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-08-05 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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS CCND3, CDK3, CDK2 SMN1; SMN2 3919/4885ALDH1A1 2994/4885TDP1 426/4885

“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.