SCHEMBL1810176

SCHEMBL1810176

Cc1cc(C)c(S(N)(=O)=O)cc1S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.42
PDIA6 Q15084 1/20 0.41
CYP2C9 P11712 1/20 0.40
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA12 O43570 4/20 0.37
CA9 Q16790 4/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
APEX1 P27695 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL11511279 0.84 KDM4E (0.52) ALDH1A1KDM4ELMNAPDIA6CYP2C9
SCHEMBL28827972 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAPDIA6CYP2C9
SCHEMBL1806905 0.78 BRD4 (0.45) ALDH1A1KDM4ELMNABRD4RAPGEF4
SCHEMBL1808294 0.77 PDIA6 (0.51) ALDH1A1KDM4ELMNAPDIA6CYP2C9
SCHEMBL1807996 0.76 CA12 (0.45) ALDH1A1KDM4ELMNAPDIA6CA1
SCHEMBL20182618 0.76 POLB (0.53) ALDH1A1KDM4ELMNAPDIA6CYP2C9
SCHEMBL1807835 0.76 CYP3A4 (0.50) ALDH1A1KDM4ELMNAPDIA6CYP2C9
SCHEMBL1807833 0.74 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAPDIA6CYP2C9
SCHEMBL1810172 0.74 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAPDIA6CYP2C9
SCHEMBL5012991 0.71 CA1 (0.49) ALDH1A1KDM4ELMNAPDIA6CYP2C9

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 218/4885KDM4E 1406/4885LMNA 1431/4885

“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.