SCHEMBL1804205

SCHEMBL1804205

Cc1ccc(C(N)=O)cc1S(=O)(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
PARP1 P09874 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
CA2 P00918 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
CNR2 P34972 1/20 0.40
ATM Q13315 1/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1802590 0.85 ALDH1A1 (0.55) ALDH1A1PARP1SMN1; SMN2CA2MAPK1
SCHEMBL17689083 0.85 ALDH1A1 (0.51) ALDH1A1PARP1SMN1; SMN2
SCHEMBL31401329 0.85 ALDH1A1 (0.51) ALDH1A1PARP1SMN1; SMN2
SCHEMBL12450092 0.85 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2POLBMAPTCNR2
SCHEMBL10387211 0.83 PTGER4 (0.46) ALDH1A1SMN1; SMN2POLBMAPTCNR2
SCHEMBL2782333 0.83 SMN1; SMN2 (0.59) SMN1; SMN2POLBMAPTRECQLESR2
SCHEMBL31401370 0.82 ALDH1A1 (0.49) ALDH1A1PARP1SMN1; SMN2CA2MAPK1
SCHEMBL1804204 0.81 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2MAPK1POLBMAPT
SCHEMBL11134079 0.81 PTGER4 (0.45) ALDH1A1SMN1; SMN2POLBMAPTCNR2
SCHEMBL7537332 0.81 KCNJ6 (0.50) ALDH1A1SMN1; SMN2MAPK1POLBRECQL

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 218/4885PARP1 4411/4885SMN1; SMN2 1683/4885

“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.