SCHEMBL2687935

SCHEMBL2687935

O=S(=O)(O)OCCc1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
GFER P55789 1/20 0.31
PMP22 Q01453 1/20 0.31
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL3373578 0.80 CA1 (0.66) CA1CA2CA9KDM4EALDH1A1
SCHEMBL8548169 0.80 CA2 (0.43) CA1CA2CA9CA12
SCHEMBL10627723 0.78 ESR1 (0.50) CA1CA2CA9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28342908 0.78 CA1 (0.63) CA1CA2CA9KDM4EALDH1A1
Phosphine SCHEMBL29064577 0.78 CA1 (0.63) CA1CA2CA9KDM4EALDH1A1
SCHEMBL9002486 0.77 RECQL (0.48) CA1CA2CA9ALDH1A1CYP3A4
Hydrazine SCHEMBL1308719 0.77 CA2 (0.67) CA1CA2CA9KDM4EALDH1A1
SCHEMBL30669408 0.77 CYP19A1 (0.42) CA1CA2CA9MAPTCA12
SCHEMBL4611003 0.76 CA2 (0.35) CA2ALDH1A1LMNACYP3A4GAA
Sulfur Dioxide SCHEMBL27681092 0.76 CA2 (0.59) CA1CA2CA9KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1975205-B1 TRISAZO COMPOUND, INK COMPOSITION, RECORDING METHOD AND COLORED MATTER NIPPON KAYAKU KK (JP) 2012-05-02 EP disclosed
US-8167991-B2 Trisazo compound, ink composition, recording method, and colored article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-01 US disclosed
US-20090062545-A1 Trisazo Compound, Ink Composition, Recording Method, and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-03-05 US disclosed
EP-1975205-A1 TRISAZO COMPOUND, INK COMPOSITION, RECORDING METHOD AND COLORED MATTER Nipponkayaku Kabushikikaisha (JP) 2008-10-01 EP 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-20090062545-A1 Trisazo Compound, Ink Composition, Recording Method, and Colored Article JAK1, TMT1A, CDK1 CA1 272/4885CA2 186/4885CA9 673/4885

“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.