SCHEMBL966876

SCHEMBL966876

Cc1ccc(S(=O)(=O)Oc2c(-c3noc(Cc4ccc(F)cc4)n3)nc(N3CCCC3=O)c3cccnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
CNR2 P34972 1/20 0.32
PARP1 P09874 2/20 0.31
GBA1 P04062 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
SCHEMBL967477 0.84 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL965994 0.81 CALCA (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3961572 0.71 MAPT (0.40) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL13118257 0.71 PTGDR2 (0.36) ALDH1A1L3MBTL1USP2LMNATDP1
SCHEMBL968379 0.69 CALCA (0.41) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL3664682 0.68 USP2 (0.33) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL967176 0.68 CALCA (0.43) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL966750 0.68 CALCA (0.40) SMN1; SMN2RAB9AMAPTL3MBTL1LMNA
SCHEMBL6386078 0.67 CALCA (0.68) L3MBTL1PKMTDP1
SCHEMBL967035 0.67 CALCA (0.43) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 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 (2 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR SMN1; SMN2 4318/4885NPC1 220/4885RAB9A 2668/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR SMN1; SMN2 4318/4885NPC1 220/4885RAB9A 2668/4885

“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.