SCHEMBL1658499

SCHEMBL1658499

O=C(CCCCC1CCSS1)NCCOCCOCCNC(=O)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.49
ACHE P22303 9/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
NOS1 P29475 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL12732043 0.99 BCHE (0.49) BCHEACHECA12CA9NOS1
SCHEMBL1657932 0.99 BCHE (0.49) BCHEACHECA12CA9NOS1
SCHEMBL1657935 0.99 BCHE (0.49) BCHEACHECA12CA9NOS1
SCHEMBL1658123 0.92 CA12 (0.53) BCHEACHECA12CA9NOS1
SCHEMBL1658122 0.92 CA12 (0.53) BCHEACHECA12CA9NOS1
SCHEMBL1657725 0.91 CA12 (0.54) BCHEACHECA12CA9NOS1
SCHEMBL1656982 0.91 CA12 (0.54) BCHEACHECA12CA9NOS1
SCHEMBL1657190 0.89 BCHE (0.50) BCHEACHECA12CA9NOS1
SCHEMBL1662262 0.89 NAAA (0.43) BCHEACHE
SCHEMBL1662009 0.87 NAAA (0.44) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946451-B2 Lipoic acid acylated salicylate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-8946451-B2 Lipoic acid acylated salicylate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
WO-2011044138-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO disclosed
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 US disclosed
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 US 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-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES ACACA, ACAT2, ACACB BCHE 3188/4885ACHE 3357/4885CA12 2799/4885

“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.