SCHEMBL87346

SCHEMBL87346

N#CC1(NC(=O)OCc2ccccc2)CCC(CO)C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.47
CTSS P25774 6/20 0.47
CTSB P07858 5/20 0.47
CTSK P43235 6/20 0.44
PREP P48147 4/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.40
TACR1 P25103 1/20 0.39

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 0.93 CTSS (0.49) CTSLCTSSCTSBCTSKPREP
SCHEMBL13657355 0.91 CTSL (0.46) CTSLCTSSCTSBCTSKPREP
SCHEMBL87370 0.85 CTSS (0.51) CTSLCTSSCTSBCTSKPREP
SCHEMBL52043 0.85 CTSS (0.48) CTSLCTSSCTSBCTSKPREP
SCHEMBL52700 0.84 CTSL (0.47) CTSLCTSSCTSBCTSKPREP
SCHEMBL1018180 0.83 CTSL (0.57) CTSLCTSSCTSBCTSKPREP
SCHEMBL52527 0.82 CTSB (0.46) CTSLCTSSCTSBCTSKPREP
SCHEMBL52526 0.82 CTSB (0.46) CTSLCTSSCTSBCTSKPREP
SCHEMBL86626 0.82 CTSB (0.46) CTSLCTSSCTSBCTSKPREP
SCHEMBL13691441 0.81 TSHR (0.46) CTSLCTSSCTSBALDH1A1GAA

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
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

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 CTSL 3453/4885CTSS 3030/4885CTSB 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.