SCHEMBL1805246

SCHEMBL1805246

Cc1ccc(C[NH])c(S(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
GAA P10253 3/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 4/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CASP6 P55212 1/20 0.36
ELAVL1 Q15717 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MPL P40238 1/20 0.35
SRC P12931 1/20 0.34
ESR2 Q92731 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
SCHEMBL1808665 0.85 ALDH1A1 (0.36) ALDH1A1GAATSHRPOLBKMT2A
SCHEMBL15031209 0.85 RAPGEF4 (0.41) ALDH1A1GAATSHRPOLBKMT2A
SCHEMBL1805641 0.83 GAA (0.37) ALDH1A1GAATSHRPOLBKMT2A
SCHEMBL1805645 0.83 PSEN1 (0.38) ALDH1A1GAATSHRPOLBKMT2A
SCHEMBL1805251 0.81 ALDH1A1 (0.40) ALDH1A1GAATSHRPOLBKMT2A
Hydrochloric Acid SCHEMBL27541968 0.80 ALDH1A1 (0.50) ALDH1A1GAATSHRPOLBKMT2A
SCHEMBL1806604 0.80 ALDH1A1 (0.36) ALDH1A1GAATSHRPOLBKMT2A
SCHEMBL1806606 0.80 TSHR (0.36) ALDH1A1GAATSHRPOLBKMT2A
SCHEMBL1804271 0.79 TIMP3 (0.41) ALDH1A1TSHRPOLBTDP1KDM4E
SCHEMBL8930270 0.79 SRC (0.54) ALDH1A1GAATSHRKMT2AKDM4E

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 ALDH1A1 218/4885GAA 2451/4885TSHR 3565/4885

“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.