SCHEMBL9900673

SCHEMBL9900673

CCOC(=O)c1nc2n(c(=O)c1O)CC1(COS(=O)(=O)c3ccc(C)cc3)CCC2(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.34
ELANE P08246 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
CYP19A1 P11511 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
CTSK P43235 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 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
SCHEMBL14212557 0.90 P2RX7 (0.35) P2RX7ELANEMAPTCA1CA2
SCHEMBL9943048 0.86 TP53 (0.35) TP53CA1CA2LMNAKMT2A
SCHEMBL9942884 0.85 P2RX7 (0.34) P2RX7ELANEMAPTCA1CA2
SCHEMBL9943017 0.85 ELANE (0.33) P2RX7ELANECA1CA2LMNA
SCHEMBL9942882 0.84 RORC (0.32) P2RX7MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL63048 0.83 HPGD (0.36) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9942880 0.82 HPGD (0.35) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9900834 0.80 LMNA (0.37) P2RX7ELANEMAPTCA1CA2
SCHEMBL14119267 0.78 RNASEH1 (0.40) P2RX7ELANETP53MAPTCA1
SCHEMBL52246 0.78 HPGD (0.37) MAPTMEN1KMT2AKDM4ECTSK

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 4 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

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 P2RX7 3911/4885ELANE 2590/4885TP53 1122/4885

“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.