SCHEMBL13494180

SCHEMBL13494180

O=C(NC(CS(=O)(=O)O)C(=O)ON1C(=O)CCC1=O)c1cc2cc(Cl)c(O)cc2oc1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ THRB P10828 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAOB P27338 3/20 0.34
▸ MAOA P21397 2/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA5B Q9Y2D0 2/20 0.33
▸ NT5E P21589 1/20 0.33
▸ GPR35 Q9HC97 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ NOD2 Q9HC29 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL13494169 0.84 GPR35 (0.40) KDRALDH1A1HTTUSP2MAOB
SCHEMBL16521953 0.78 RAB9A (0.33) HTTGPR35NPC1
SCHEMBL13494166 0.77 GPR35 (0.41) ALDH1A1MAOBMAOACA12GPR35
SCHEMBL20246916 0.72 GPR35 (0.32) ALDH1A1HTTUSP2MAOBNT5E
SCHEMBL13494165 0.71 MAOB (0.58) ALDH1A1HTTMAOBCA12CA1
SCHEMBL13494173 0.69 RAB9A (0.50) ALDH1A1HTTKDM4ENPC1MEN1
SCHEMBL13099445 0.68 PSMB8 (0.31) —
SCHEMBL13099441 0.68 PSMB8 (0.32) —
SCHEMBL14405916 0.67 KDM4E (0.54) ALDH1A1MAOBMAOACA12CA2
SCHEMBL13099429 0.67 — —

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-20100029017-A1 Mono-chlorinated hydroxycoumarin conjugates BECTON, DICKINSON AND COMPANY 2010-02-04 — — US disclosed
US-20100029017-A1 Mono-chlorinated hydroxycoumarin conjugates BECTON, DICKINSON AND COMPANY 2010-02-04 — — 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-20100029017-A1 Mono-chlorinated hydroxycoumarin conjugates CLSPN, CLTC, HACD3 KDR 1765/4885ALDH1A1 782/4885HTT 1115/4885

“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.

Send feedback