SCHEMBL1806556

SCHEMBL1806556

O=S(=O)(O)c1ccc(CO)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
CA2 P00918 4/20 0.38
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
RECQL P46063 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 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
SCHEMBL1806554 0.85 CA2 (0.34) PTGES2HPGDCA2CA1CA7
Hydrochloric Acid SCHEMBL27785609 0.83 TTR (0.35) HPGDCA2CA1CA7CA9
SCHEMBL1804856 0.83 PTGES2 (0.51) PTGES2CA2CA1CA7CA9
SCHEMBL1806624 0.83 CSNK2A1 (0.43) CA2CA1CA7CA9CA14
Hydrochloric Acid SCHEMBL28301073 0.83 PTGES2 (0.42) PTGES2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1806621 0.83 ADRA1D (0.39) PTGES2SMN1; SMN2HPGDCA2CA1
SCHEMBL6196958 0.83 ADRA1D (0.47) PTGES2NPC1RAB9ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL27763840 0.81 CYP4F2 (0.40) PTGES2HPGDCA2CA1CA7
SCHEMBL3231192 0.79 GSTO1 (0.51) NPC1RAB9ASMN1; SMN2MAPTXBP1
SCHEMBL20489151 0.79 PSEN1 (0.37) PTGES2NPC1RAB9ASMN1; SMN2HPGD

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 PTGES2 3086/4885NPC1 1531/4885RAB9A 1086/4885

“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.