SCHEMBL4282671

SCHEMBL4282671

CC(=O)c1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(N)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CASP6 P55212 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NT5E P21589 2/20 0.42
TIMP3 P35625 4/20 0.42
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 2/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 2/20 0.38
TTR P02766 1/20 0.37
ENPP2 Q13822 2/20 0.37
NSD2 O96028 2/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL11568447 0.83 ALDH1A1 (0.57) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL3217157 0.79 AURKA (0.58) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL19578716 0.79 TIMP3 (0.42) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL5907633 0.77 ALDH1A1 (0.41) HSD17B10ALDH1A1CYP2C9CYP2C19NT5E
SCHEMBL30901433 0.75 AURKA (0.53) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL229199 0.75 AURKA (0.53) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL8379561 0.74 AURKA (0.51) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL26983155 0.74 AURKA (0.51) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL156092 0.73 AURKA (0.62) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL29706553 0.73 AURKA (0.62) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098076-A1 Method For the Production of a Keratin-Binding Effector Molecule BASF SE (DE) 2009-04-16 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-20090098076-A1 Method For the Production of a Keratin-Binding Effector Molecule KRT18, KRTCAP2, CUTA HSD17B10 2903/4885ALDH1A1 3750/4885CASP6 1371/4885

“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.