SCHEMBL1808593

SCHEMBL1808593

O=C(O)c1cc(S(=O)(=O)O)c2ccccc2c1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 14/20 0.73
HSD17B10 Q99714 3/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2D6 P10635 1/20 0.62
HPGD P15428 2/20 0.61
THRB P10828 1/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.61
ATIC P31939 1/20 0.61
MPL P40238 1/20 0.59
BCL2L1 Q07817 2/20 0.58
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
HMGB1 P09429 1/20 0.56
CXCL12 P48061 1/20 0.56

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
SCHEMBL1805696 0.86 MCL1 (0.59) MCL1HSD17B10CYP2C9CYP2D6HPGD
SCHEMBL7234615 0.85 MCL1 (0.71) MCL1HSD17B10CYP2C9HPGDTHRB
SCHEMBL590115 0.85 MCL1 (0.71) MCL1HSD17B10CYP2C9HPGDTHRB
SCHEMBL29539793 0.85 MCL1 (0.71) MCL1HSD17B10CYP2C9HPGDTHRB
SCHEMBL589651 0.85 MCL1 (1.00) MCL1HSD17B10CYP2C9HPGDTHRB
SCHEMBL2789013 0.83 MCL1 (0.69) MCL1HSD17B10CYP2C9HPGDTHRB
SCHEMBL3482553 0.83 MCL1 (0.53) MCL1HSD17B10CYP2C9CYP2D6TSHR
SCHEMBL1808591 0.83 MCL1 (0.51) MCL1HSD17B10CYP2C9CYP2D6MPL
SCHEMBL4368303 0.83 MCL1 (0.51) MCL1HSD17B10CYP2C9CYP2D6HPGD
SCHEMBL9192932 0.82 HSD17B10 (0.53) MCL1HSD17B10CYP2C9CYP2D6HPGD

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 MCL1 3071/4885HSD17B10 2848/4885CYP2C9 692/4885

“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.