SCHEMBL1703728

SCHEMBL1703728

CC1(C)OB(c2ccc(S(C)(=O)=O)cc2NC(=O)O)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
CA1 P00915 9/20 0.39
CA2 P00918 9/20 0.39
CA9 Q16790 9/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL1060280 0.83 AAK1 (0.39) NPC1CA1CA2CA9ALDH1A1
SCHEMBL2292922 0.82 HIF1A (0.41) NPC1ALDH1A1MAPTRAB9AGAA
SCHEMBL1061781 0.80 POLB (0.40) ALDH1A1LMNAGAA
SCHEMBL1675460 0.79 ALDH1A1 (0.43) ALDH1A1MAPTLMNA
SCHEMBL1675461 0.79 ALDH1A1 (0.43) ALDH1A1MAPTLMNA
SCHEMBL29421539 0.79 G6PD (0.37) CA1CA2CA9LMNA
SCHEMBL395845 0.79 G6PD (0.37) CA1CA2CA9LMNA
SCHEMBL2294873 0.77 UCHL1 (0.42) ALDH1A1MAPTGAA
SCHEMBL25427514 0.76 KMT2A (0.39) ALDH1A1MAPT
SCHEMBL16735793 0.76 LIPE (0.47) ALDH1A1LMNA

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-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-22 US disclosed
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 EP disclosed
EP-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 EP disclosed
EP-2440245-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES Novartis AG (CH) 2012-04-18 EP disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 WO disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 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-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 NPC1 3418/4885CA1 4263/4885CA2 3817/4885

“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.