SCHEMBL4303416

SCHEMBL4303416

CNc1cccc2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 4/20 0.73
▸ RHOA P61586 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP1A2 P05177 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ PTPRA P18433 1/20 0.45
▸ PTPRB P23467 1/20 0.45
▸ RAPGEF4 Q8WZA2 1/20 0.45
▸ SNCA P37840 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL17000439 0.87 CASP6 (0.56) CASP6RHOAALDH1A1CYP2C9HSD17B10
SCHEMBL140691 0.86 CASP6 (0.68) CASP6RHOAALDH1A1CYP2C9HSD17B10
SCHEMBL7225514 0.84 CASP6 (1.00) CASP6RHOAALDH1A1CYP1A2TSHR
SCHEMBL18268225 0.84 CASP6 (0.66) CASP6RHOAALDH1A1CYP2C9HSD17B10
SCHEMBL4107132 0.83 CASP6 (0.97) CASP6RHOAALDH1A1CYP1A2TSHR
SCHEMBL11517936 0.83 CASP6 (0.64) CASP6RHOAALDH1A1CYP2C9HSD17B10
SCHEMBL31661371 0.82 CASP6 (0.63) CASP6RHOAALDH1A1CYP2C9HSD17B10
SCHEMBL179730 0.82 CASP6 (0.63) CASP6RHOAALDH1A1CYP2C9HSD17B10
SCHEMBL7046526 0.81 CASP6 (0.62) CASP6RHOAALDH1A1CYP2C9HSD17B10
Potassium SCHEMBL7615456 0.81 CASP6 (0.61) CASP6RHOAALDH1A1CYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102637-B1 METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES BASF SE (DE) 2018-04-11 — — EP disclosed
US-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2016-12-01 — — US disclosed
WO-2012055481-A1 NON METAL TANNING CLARIANT INTERNATIONAL LTD (CH) 2012-05-03 — — WO 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-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures ANTXR2, FCGR3B, IGLV6-57 CASP6 4380/4885RHOA 3769/4885ALDH1A1 1699/4885

“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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