SCHEMBL1805381

SCHEMBL1805381

COc1ccc(S(=O)(=O)O)c(CC[NH])c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRA1A P35348 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC2A1 P11166 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MTNR1A P48039 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
SCHEMBL1804050 0.87 HSD17B10 (0.41) HSD17B10L3MBTL1GAASLC2A1CA1
SCHEMBL14991138 0.87 HSD17B10 (0.44) HSD17B10L3MBTL1GAASLC2A1CA1
SCHEMBL1808453 0.86 CYP2D6 (0.47) HSD17B10L3MBTL1ADRA1ATAAR1GAA
SCHEMBL1808452 0.86 HSD17B10 (0.41) HSD17B10L3MBTL1ADRA1ATAAR1GAA
SCHEMBL1805383 0.84 TAAR1 (0.57) ADRA1ATAAR1GAA
SCHEMBL1607332 0.83 HSD17B10 (0.44) HSD17B10L3MBTL1GAASLC2A1CA1
SCHEMBL1803007 0.82 HSD17B10 (0.42) HSD17B10L3MBTL1GAAPTGS2SLC2A1
SCHEMBL1803005 0.82 HSD17B10 (0.42) HSD17B10L3MBTL1GAASLC2A1CA1
SCHEMBL1804056 0.81 ADRA1A (0.44) HSD17B10ADRA1ATAAR1GAASLC2A1
SCHEMBL16272791 0.81 MEN1 (0.46) PTGS2SLC2A1MTNR1A

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 HSD17B10 2848/4885L3MBTL1 2085/4885ADRA1A 2224/4885

“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.