SCHEMBL9900865

SCHEMBL9900865

Cc1ccc(S(=O)(=O)OCC2(COS(=O)(=O)c3ccc(C)cc3)CCC(NC(=O)OCc3ccccc3)(C(=N)NO)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CTSS P25774 4/20 0.41
CTSB P07858 3/20 0.41
CTSL P07711 3/20 0.41
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
P2RX7 Q99572 5/20 0.39
MAPT P10636 1/20 0.39
CTSK P43235 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ELANE P08246 1/20 0.37
HPN P05981 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36

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
SCHEMBL9942922 0.83 F13A1 (0.37) LMNACTSSCTSBCTSLCA1
SCHEMBL2393797 0.82 CTSS (0.52) LMNACTSSCTSBCTSLCA1
SCHEMBL14235106 0.81 LMNA (0.35) LMNACTSSCTSBCTSLCA1
SCHEMBL9942900 0.81 CTSL (0.44) LMNACTSSCTSBCTSLCA1
SCHEMBL28328057 0.80 LMNA (0.48) LMNACTSSCTSBCTSLCA1
SCHEMBL14119684 0.79 CTSS (0.38) LMNACTSSCTSBCTSLCA1
SCHEMBL23540158 0.75 APP (0.50) LMNACA1CA2P2RX7MAPT
SCHEMBL30994224 0.75 LMNA (0.45) LMNACTSSCTSBCTSLCA1
SCHEMBL2081207 0.74 MEN1 (0.49) CTSSCTSBCTSLNPC1RAB9A
SCHEMBL28329225 0.72 CA12 (0.47) LMNACTSSCTSBCTSLCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
EP-2649077-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-10-16 EP disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2012078834-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 WO disclosed
WO-2012078834-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 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-20120309698-A1 HIV Integrase Inhibitors DNTT, POLB, UNG LMNA 1838/4885CTSS 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.