SCHEMBL462401

SCHEMBL462401

CCCCCNC(CCSC)C(=O)O.[Na]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.48
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
PGGT1B P53609 1/20 0.42
LMNA P02545 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
FOLH1 Q04609 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL303333 0.98 NOD1 (0.49) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL303334 0.98 NOD1 (0.49) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL1147839 0.98 NOD1 (0.49) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL5087526 0.97 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL5087530 0.97 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL25411986 0.97 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL462399 0.97 NOD1 (0.48) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL9341321 0.97 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL9341319 0.97 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL7765496 0.97 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA

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-20120065394-A1 Corrosion Inhibitors Having Increased Biodegradability and Reduced Toxicity CLARIANT FINANCE (BVI) LIMITED (VG) 2012-03-15 US disclosed
US-20100234592-A1 Corrosion Inhibitors Having Increased Biodegradability and Reduced Toxicity CLARIANT FINANCE (BVI) LTD. (VG) 2010-09-16 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-20100234592-A1 Corrosion Inhibitors Having Increased Biodegradability and Reduced Toxicity C5, C9, CYP1A1 NOD1 1223/4885FNTA 4563/4885FNTB 3985/4885

“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.