SCHEMBL87370

SCHEMBL87370

CCC1CCC(C#N)(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.51
CTSB P07858 8/20 0.51
CTSL P07711 8/20 0.51
CTSK P43235 7/20 0.45
PREP P48147 4/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL62133 0.89 CTSS (0.49) CTSSCTSBCTSLCTSKPREP
SCHEMBL52043 0.88 CTSS (0.48) CTSSCTSBCTSLCTSKPREP
SCHEMBL1018180 0.86 CTSL (0.57) CTSSCTSBCTSLCTSKPREP
SCHEMBL87346 0.85 CTSL (0.47) CTSSCTSBCTSLCTSKPREP
SCHEMBL13657355 0.83 CTSL (0.46) CTSSCTSBCTSLCTSKPREP
SCHEMBL9900827 0.83 CTSL (0.63) CTSSCTSBCTSLCTSKPREP
SCHEMBL30117973 0.82 CTSL (0.53) CTSSCTSBCTSLCTSKPREP
SCHEMBL52449 0.80 CTSS (0.52) CTSSCTSBCTSLCTSK
SCHEMBL52527 0.79 CTSB (0.46) CTSSCTSBCTSLCTSKPREP
SCHEMBL86626 0.79 CTSB (0.46) CTSSCTSBCTSLCTSKPREP

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CTSS 3030/4885CTSB 2999/4885CTSL 3453/4885

“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.