SCHEMBL3910184

SCHEMBL3910184

NC(=O)CCC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 4/20 0.47
▸ PRMT1 Q99873 2/20 0.46
▸ NT5E P21589 2/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ APEX1 P27695 1/20 0.39
▸ CA1 P00915 6/20 0.37
▸ CA2 P00918 6/20 0.37
▸ CA9 Q16790 6/20 0.37
▸ CASR P41180 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ CA12 O43570 2/20 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
SCHEMBL3895105 0.83 NT5E (0.56) CASP6PRMT1NT5ENSD2DUSP3
SCHEMBL3895091 0.82 NT5E (0.55) CASP6PRMT1NT5ENSD2DUSP3
SCHEMBL11436880 0.81 CASP6 (0.56) CASP6PRMT1NT5ENSD2DUSP3
SCHEMBL11311222 0.81 CASP6 (0.52) CASP6PRMT1NT5ENSD2DUSP3
SCHEMBL10900256 0.80 PRMT1 (0.63) CASP6PRMT1NT5ENSD2DUSP3
SCHEMBL4022032 0.79 CASP6 (0.49) CASP6PRMT1NT5ENSD2DUSP3
SCHEMBL3897862 0.79 CASP6 (0.49) CASP6PRMT1NT5ENSD2DUSP3
SCHEMBL7093010 0.79 APEX1 (0.41) CASP6NT5EALDH1A1CYP2C9CYP2C19
SCHEMBL3897328 0.78 CASP6 (0.48) CASP6PRMT1NT5ENSD2DUSP3
SCHEMBL20299286 0.77 CASP6 (0.74) CASP6PRMT1NT5ENSD2DUSP3

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-7572459-B2 Prevention infections in humans, animals STARPHARMA PTY LTD. (AU) 2009-08-11 — — US claimed
US-20030129158-A1 Anionic or cationic dendrimer antimicrobial or antiparasitic compositions STARPHARMA LIMITED 2003-07-10 — — US claimed

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-20030129158-A1 Anionic or cationic dendrimer antimicrobial or antiparasitic compositions FUT6, B3GNT2, SIGLEC7 CASP6 1129/4885PRMT1 1218/4885NT5E 102/4885

“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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