SCHEMBL1806320

SCHEMBL1806320

Cc1c(CO)cc(S(N)(=O)=O)cc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.47
CYP2C19 P33261 1/20 0.47
CA2 P00918 14/20 0.42
CA1 P00915 9/20 0.42
CA9 Q16790 6/20 0.42
CA7 P43166 5/20 0.42
CA12 O43570 4/20 0.42
CA4 P22748 4/20 0.42
CA6 P23280 4/20 0.42
CA5A P35218 4/20 0.42
CA5B Q9Y2D0 4/20 0.42
CA14 Q9ULX7 4/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL1803008 0.90 APEX1 (0.40) APEX1CYP2C19CA2CA1CA9
SCHEMBL1804948 0.90 APEX1 (0.36) APEX1CYP2C19CA2CA1CA9
SCHEMBL1804409 0.86 APEX1 (0.44) APEX1CYP2C19CA2CA1CA9
SCHEMBL1806315 0.84 APEX1 (0.48) APEX1CYP2C19CA2CA1CA9
SCHEMBL1804406 0.81 APEX1 (0.46) APEX1CYP2C19CA2CA1CA9
SCHEMBL1807484 0.78 APEX1 (0.43) APEX1CYP2C19CA2CA1CA9
SCHEMBL1804102 0.77 CA2 (0.38) APEX1CYP2C19CA2CA1CA9
SCHEMBL1803299 0.77 CA2 (0.41) APEX1CYP2C19CA2CA1CA9
SCHEMBL1809351 0.76 LCK (0.34) CYP2C19LMNACYP2C9ALDH1A1
SCHEMBL1804946 0.76 APEX1 (0.36) APEX1CYP2C19CA2CA1CA9

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 APEX1 2122/4885CYP2C19 887/4885CA2 1279/4885

“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.