SCHEMBL1806166

SCHEMBL1806166

O=S(=O)(O)c1cc(Cl)ccc1S

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NSD2 O96028 1/20 0.37
MMP14 P50281 1/20 0.37
CASP6 P55212 1/20 0.37
TSHR P16473 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
P2RX1 P51575 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
S100A4 P26447 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL28425277 0.83 GRIK1 (0.39) MCL1ALDH1A1NSD2MMP14CASP6
SCHEMBL4615047 0.81 TRPV4 (0.48) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL1806907 0.79 CA1 (0.46) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL11228336 0.78 HSD17B10 (0.32) ALDH1A1CASP6TSHRHPGDCYP2C9
SCHEMBL196568 0.78 S100A4 (0.48) MCL1ALDH1A1NSD2MMP14CASP6
SCHEMBL29384019 0.78 MCL1 (0.53) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL198460 0.78 MCL1 (0.53) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL3695138 0.77 ALDH1A1 (0.52) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL1805528 0.77 POLB (0.50) ALDH1A1NSD2MMP14CASP6TSHR
SCHEMBL4448109 0.77 TRPV4 (0.40) MCL1ALDH1A1NSD2MMP14CASP6

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 3071/4885ALDH1A1 218/4885NSD2 1137/4885

“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.