SCHEMBL1805645

SCHEMBL1805645

Cc1ccc(CO)c(S(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.38
PSEN2 P49810 11/20 0.38
APH1B Q8WW43 11/20 0.38
NCSTN Q92542 11/20 0.38
APH1A Q96BI3 11/20 0.38
PSENEN Q9NZ42 11/20 0.38
MPL P40238 1/20 0.38
GAA P10253 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
CASP6 P55212 1/20 0.37
KMT2A Q03164 1/20 0.37
ELAVL1 Q15717 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL15031209 0.86 RAPGEF4 (0.41) MPLGAAALDH1A1KDM4EMEN1
SCHEMBL1806606 0.85 TSHR (0.36) MPLGAAALDH1A1KDM4EMEN1
SCHEMBL12179249 0.85 NR1H2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1806437 0.85 MPL (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1805641 0.85 GAA (0.37) MPLGAAALDH1A1KDM4EMEN1
SCHEMBL1805251 0.83 ALDH1A1 (0.40) MPLGAAALDH1A1KDM4EMEN1
SCHEMBL1805246 0.83 ALDH1A1 (0.38) MPLGAAALDH1A1KDM4EMEN1
SCHEMBL1802839 0.83 KDM4E (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1806604 0.81 ALDH1A1 (0.36) MPLGAAALDH1A1KDM4EMEN1
SCHEMBL8930270 0.80 SRC (0.54) MPLGAAALDH1A1KDM4EMEN1

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 PSEN1 1128/4885PSEN2 2456/4885APH1B 4368/4885

“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.