SCHEMBL9942946

SCHEMBL9942946

Cc1ccc(S(=O)(=O)OCC2(COS(=O)(=O)c3ccc(C)cc3)CCC(NC(=O)OCc3ccccc3)(c3nc(C4OC(C)O4)c(O)c(=O)[nH]3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
ELANE P08246 1/20 0.33
P2RX7 Q99572 6/20 0.32
CTSS P25774 4/20 0.32
CTSK P43235 4/20 0.32
CTSL P07711 3/20 0.32
CTSB P07858 2/20 0.32
LMNA P02545 1/20 0.32
RNASEH1 O60930 1/20 0.31

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
SCHEMBL14212555 0.86 LMNA (0.34) CA1CA2ELANEP2RX7CTSS
SCHEMBL14119267 0.84 RNASEH1 (0.40) CA1CA2ELANEP2RX7LMNA
SCHEMBL13691700 0.84 CTSS (0.36) CTSSCTSKCTSLCTSBLMNA
SCHEMBL9943017 0.80 ELANE (0.33) CA1CA2ELANEP2RX7LMNA
SCHEMBL14212556 0.78 MAPT (0.35) CA1CA2ELANEP2RX7LMNA
SCHEMBL14119188 0.77 MAPT (0.35) CA1CA2P2RX7LMNA
SCHEMBL87310 0.77 CTSK (0.33) CTSSCTSKCTSLCTSB
SCHEMBL13691511 0.76 CTSK (0.34) CTSSCTSKCTSLCTSBRNASEH1
SCHEMBL9900834 0.73 LMNA (0.37) CA1CA2ELANEP2RX7LMNA
SCHEMBL9942900 0.70 CTSL (0.44) CA1CA2P2RX7CTSSCTSK

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-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

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 CA1 4824/4885CA2 4114/4885ELANE 2590/4885

“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.