SCHEMBL1807970

SCHEMBL1807970

Cc1cccc(C[NH])c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.35
PGR P06401 2/20 0.35
NR3C2 P08235 2/20 0.35
CTBP2 P56545 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
APEX1 P27695 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.33
IDH1 O75874 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL1607448 0.85 GABRA1 (0.45) TDP1POLBKDM4EGABRA1GABRB2
SCHEMBL1806095 0.85 CTBP2 (0.36) NR3C1PGRNR3C2CTBP2CA12
SCHEMBL1806098 0.83 PDCD1 (0.39) NR3C1PGRNR3C2CTBP2CA12
Hydrochloric Acid SCHEMBL8629651 0.82 ALDH1A1 (0.42) CA1CA2CA9TDP1POLB
SCHEMBL1807974 0.81 TAAR1 (0.38) CTBP2CA12CA1CA2CA9
SCHEMBL8647427 0.81 TTR (0.40) TDP1APEX1GABRA1GABRB2TSHR
SCHEMBL729518 0.81 GABRA1 (0.43) POLBKDM4EGABRA1GABRB2ALDH1A1
SCHEMBL1802302 0.80 CA12 (0.33) NR3C1PGRNR3C2CTBP2CA12
SCHEMBL8019559 0.80 NR3C1 (0.37) NR3C1PGRNR3C2CTBP2CA12
SCHEMBL1802303 0.80 CA12 (0.33) NR3C1PGRNR3C2CTBP2CA12

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 NR3C1 2941/4885PGR 1471/4885NR3C2 2549/4885

“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.