SCHEMBL14667445

SCHEMBL14667445

Cc1cc(NC(=O)CSCCCOC2CCCCC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ MITF O75030 1/20 0.39
▸ KLF5 Q13887 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.37
▸ LDLR P01130 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14667444 0.92 ALOX15 (0.45) USP2ALOX15CASP1CASP7HSD17B10
SCHEMBL14667531 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AHPGDRAB9AMEN1
SCHEMBL14667464 0.85 HPGD (0.51) ALDH1A1KMT2AHPGDRAB9AMITF
SCHEMBL14667471 0.84 HDAC3 (0.44) ALDH1A1KMT2AHPGDMEN1MITF
SCHEMBL15942860 0.82 ALOX15 (0.52) USP2ALOX15CASP1CASP7HSD17B10
SCHEMBL14667476 0.80 ALDH1A1 (0.44) ALDH1A1KMT2AHPGDRAB9AMITF
SCHEMBL14667475 0.80 KMT2A (0.36) USP2ALOX15CASP1CASP7HSD17B10
SCHEMBL14667495 0.79 HDAC3 (0.47) USP2HSD17B10ALDH1A1HPGDMAPT
SCHEMBL14667535 0.79 LNPEP (0.37) ALDH1A1KMT2AHPGDMEN1MITF
SCHEMBL14667524 0.78 ALDH1A1 (0.39) ALDH1A1KMT2AHPGDRAB9AMEN1

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-8802448-B2 Mixed mode ligands PALL CORPORATION (US) 2014-08-12 — — US disclosed
US-20130030154-A1 MIXED MODE LIGANDS PALL CORPORATION (US) 2013-01-31 — — 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-20130030154-A1 MIXED MODE LIGANDS NCL, NECTIN4, NCLN USP2 2925/4885ALOX15 4665/4885CASP1 4481/4885

“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.

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