SCHEMBL1803947

SCHEMBL1803947

COc1ccc(S(=O)(=O)O)cc1C[NH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ S1PR3 Q99500 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
Hydrochloric Acid SCHEMBL27738672 0.88 CASR (0.47) CASRMAPK1POLBTSHRSMN1; SMN2
SCHEMBL1808110 0.87 CASR (0.44) CASRMAPK1POLBTSHRSMN1; SMN2
SCHEMBL1806755 0.85 CASR (0.47) CASRMAPK1POLBTSHRSMN1; SMN2
SCHEMBL1806756 0.85 CASR (0.47) CASRMAPK1POLBTSHRSMN1; SMN2
SCHEMBL1803953 0.83 CASR (0.49) CASRMAPK1POLBTSHRSMN1; SMN2
SCHEMBL1807098 0.82 CASR (0.45) CASRMAPK1POLBTSHRSMN1; SMN2
SCHEMBL1807097 0.82 CASR (0.45) CASRMAPK1POLBTSHRSMN1; SMN2
SCHEMBL20222988 0.81 CASR (0.44) CASRMAPK1POLBTSHRSMN1; SMN2
SCHEMBL1808113 0.81 TAAR1 (0.57) CASR
Hydrochloric Acid SCHEMBL27568289 0.80 MAPK1 (0.68) MAPK1POLBTSHRSMN1; SMN2ALDH1A1

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 CASR 4462/4885MAPK1 926/4885POLB 3927/4885

“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.

Send feedback