SCHEMBL1804445

SCHEMBL1804445

O=S(=O)(O)c1cc2ccccc2cc1[S]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38
TTR P02766 1/20 0.38
FABP4 P15090 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK14 Q16539 1/20 0.38
MPL P40238 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
HIF1A Q16665 2/20 0.37
CTRC Q99895 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
ATIC P31939 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR4A1 P22736 1/20 0.37
SNCA P37840 1/20 0.36

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
SCHEMBL1744012 0.84 TSHR (0.46) TSHRSMN1; SMN2CYP2D6TTRFABP4
SCHEMBL1804489 0.79 CA2 (0.49) CYP2C9LMNA
SCHEMBL2956866 0.77 MPL (0.47) TSHRSMN1; SMN2CYP2D6MPLHIF1A
SCHEMBL31331373 0.77 MPL (0.47) TSHRSMN1; SMN2CYP2D6MPLHIF1A
SCHEMBL11580148 0.75 LMNA (0.39) TSHRSMN1; SMN2CYP2D6TTRFABP4
SCHEMBL343462 0.75 MYC (0.39) TSHRSMN1; SMN2CYP2D6TTRFABP4
SCHEMBL343463 0.75 IDO1 (0.47) TSHRSMN1; SMN2CYP2D6TTRFABP4
SCHEMBL29674878 0.75 IDO1 (0.47) TSHRSMN1; SMN2CYP2D6TTRFABP4
Ammonia Solution, Strong SCHEMBL14645369 0.75 MPL (0.46) CYP2D6MPLHIF1ACTRCHSD17B10
SCHEMBL1804448 0.75 TSHR (0.38) TSHRSMN1; SMN2CYP2D6TTRFABP4

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 TSHR 3565/4885SMN1; SMN2 1683/4885CYP2D6 2352/4885

“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.