SCHEMBL51982

SCHEMBL51982

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.36
CTSC P53634 2/20 0.35
CTSL P07711 7/20 0.34
CTSK P43235 6/20 0.34
DPP4 P27487 4/20 0.33
CTSB P07858 3/20 0.32

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
SCHEMBL23851119 0.82 APLNR (0.34) CTSSCTSCCTSK
SCHEMBL1935295 0.79
SCHEMBL3831093 0.75 CTSL (0.45) CTSSCTSCCTSLCTSKCTSB
SCHEMBL23573464 0.75 CTSL (0.41) CTSSCTSCCTSLCTSKCTSB
SCHEMBL62133 0.74 CTSS (0.49) CTSSCTSLCTSKCTSB
SCHEMBL19995774 0.74 CTSC (0.38) CTSSCTSCCTSLCTSKCTSB
SCHEMBL24767282 0.71 CTSS (0.36) CTSSCTSCCTSLCTSKCTSB
SCHEMBL5125202 0.71 CNR1 (0.41) CTSSCTSCCTSLCTSKDPP4
SCHEMBL14842066 0.71 CTSL (0.36) CTSSCTSCCTSLCTSKCTSB
SCHEMBL15968247 0.69 CTSS (0.43) CTSSCTSCCTSLCTSKCTSB

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
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-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 3030/4885CTSC 1944/4885CTSL 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.