SCHEMBL1808666

SCHEMBL1808666

C[N]c1cc(C)ccc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ SUMO2 P61956 3/20 0.38
▸ SUMO1 P63165 3/20 0.38
▸ SENP7 Q9BQF6 3/20 0.38
▸ SENP2 Q9HC62 3/20 0.38
▸ SENP1 Q9P0U3 3/20 0.38
▸ SENP3 Q9H4L4 1/20 0.38
▸ GAA P10253 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 3/20 0.37
▸ RECQL P46063 2/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ ELAVL1 Q15717 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL18870477 0.85 MPL (0.44) MPLALDH1A1HIF1ASUMO2SUMO1
SCHEMBL1805248 0.85 ALDH1A1 (0.43) MPLALDH1A1HIF1ASUMO2SUMO1
SCHEMBL8959215 0.81 ALDH1A1 (0.42) MPLALDH1A1HIF1AGAAMEN1
SCHEMBL11327329 0.79 MYC (0.41) MPLALDH1A1HIF1AGAAMEN1
SCHEMBL1804208 0.79 NSD2 (0.41) ALDH1A1SUMO2SUMO1SENP7SENP2
SCHEMBL1804052 0.77 MPL (0.41) MPLALDH1A1GAAMEN1KMT2A
SCHEMBL2250284 0.76 MPL (0.45) MPLALDH1A1SUMO2SUMO1SENP7
SCHEMBL26645 0.75 MEP1B (0.49) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL29454656 0.75 MEP1B (0.49) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL1806160 0.74 TP53 (0.46) MPLALDH1A1HIF1ASUMO2SUMO1

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 MPL 4659/4885ALDH1A1 218/4885HIF1A 1831/4885

“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.

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