SCHEMBL1803312

SCHEMBL1803312

C[N]c1ccc(S(=O)(=O)O)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.44
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.41
▸ PTGS1 P23219 4/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ MPL P40238 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL1807377 0.86 SMN1; SMN2 (0.46) PTGS2KMT2AALDH1A1MAPTLMNA
SCHEMBL154427 0.79 ALDH1A1 (0.51) KMT2AALDH1A1MAPTLMNATRPV4
SCHEMBL669063 0.77 GAA (0.54) KMT2AALDH1A1CYP19A1GAAMEN1
SCHEMBL1804562 0.77 TRPV4 (0.44) KMT2AALDH1A1MAPTLMNATRPV4
SCHEMBL10886281 0.77 TSHR (0.50) KMT2AALDH1A1MAPTLMNATRPV4
SCHEMBL6367227 0.77 MCOLN3 (0.55) KMT2AALDH1A1MAPTLMNATRPV4
SCHEMBL4072806 0.77 MAOB (0.53) KMT2AALDH1A1MAPTLMNATRPV4
SCHEMBL1804053 0.77 BRD4 (0.49) KMT2AALDH1A1MAPTBRD4PHLPP2
SCHEMBL10740495 0.75 GAA (0.52) KMT2AALDH1A1MAPTSMN1; SMN2CYP19A1
SCHEMBL17315165 0.75 SMN1; SMN2 (0.47) KMT2AALDH1A1MAPTLMNATRPV4

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 PTGS2 1638/4885KMT2A 1224/4885ALDH1A1 218/4885

“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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