SCHEMBL52449

SCHEMBL52449

CC1(CO)CCC(C#N)(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.52
CTSL P07711 10/20 0.52
CTSB P07858 8/20 0.52
CTSK P43235 9/20 0.45

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
SCHEMBL1018180 0.90 CTSL (0.57) CTSSCTSLCTSBCTSK
SCHEMBL9942953 0.86 CTSL (0.49) CTSSCTSLCTSBCTSK
SCHEMBL9900827 0.84 CTSL (0.63) CTSSCTSLCTSBCTSK
SCHEMBL30117973 0.83 CTSL (0.53) CTSSCTSLCTSBCTSK
SCHEMBL51465 0.81 CTSL (0.49) CTSSCTSLCTSBCTSK
SCHEMBL62133 0.81 CTSS (0.49) CTSSCTSLCTSBCTSK
SCHEMBL87370 0.80 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL2081142 0.79 MEN1 (0.51) CTSSCTSLCTSBCTSK
SCHEMBL10556366 0.78 CTSL (0.52) CTSSCTSLCTSBCTSK
SCHEMBL52043 0.78 CTSS (0.48) CTSSCTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
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
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CTSS 3030/4885CTSL 3453/4885CTSB 2999/4885

“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.