SCHEMBL1806876

SCHEMBL1806876

COc1ccc(S)cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ CDC25B P30305 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ CASR P41180 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MPL P40238 1/20 0.38
▸ KDM4E B2RXH2 1/20 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
SCHEMBL1804564 0.85 ALDH1A1 (0.43) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL5088094 0.81 GSK3B (0.46) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL1807813 0.81 PKM (0.58) SMN1; SMN2ALDH1A1PKML3MBTL1TSHR
SCHEMBL158165 0.81 GSK3B (0.46) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL13297310 0.81 GSK3B (0.48) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL29837123 0.79 SMN1; SMN2 (0.59) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL1066283 0.79 KMT2A (0.60) SMN1; SMN2KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL3496007 0.79 SMN1; SMN2 (0.59) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL1806873 0.79 GSK3B (0.47) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL30965843 0.79 L3MBTL1 (0.64) SMN1; SMN2KMT2AMAPTALDH1A1LMNA

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-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 GSK3B 2703/4885SMN1; SMN2 1683/4885KMT2A 1224/4885

“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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