SCHEMBL9943017

SCHEMBL9943017

Cc1ccc(S(=O)(=O)OCC23CCC(NC(=O)OCc4ccccc4)(CC2)c2nc(C4OC(C)O4)c(O)c(=O)n2C3)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
P2RX7 Q99572 10/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL14212557 0.86 P2RX7 (0.35) ELANEP2RX7CA1CA2LMNA
SCHEMBL9900673 0.85 P2RX7 (0.34) ELANEP2RX7CA1CA2LMNA
SCHEMBL9942946 0.80 CA1 (0.33) ELANEP2RX7CA1CA2LMNA
SCHEMBL85989 0.79 RORC (0.34)
SCHEMBL9942882 0.78 RORC (0.32) P2RX7
SCHEMBL13691651 0.75 CTSK (0.33)
SCHEMBL9942884 0.73 P2RX7 (0.34) ELANEP2RX7CA1CA2LMNA
SCHEMBL9900834 0.72 LMNA (0.37) ELANEP2RX7CA1CA2LMNA
SCHEMBL9943048 0.70 TP53 (0.35) CA1CA2LMNAKDM4E
SCHEMBL13691428 0.69 RORC (0.34) HTT

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 ELANE 2590/4885P2RX7 3911/4885CA1 4824/4885

“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.