SCHEMBL5720569

SCHEMBL5720569

CCOC(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 4/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ RECQL P46063 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ HPSE Q9Y251 4/20 0.43
▸ PRMT1 Q99873 2/20 0.43
▸ ENPP3 O14638 1/20 0.43
▸ ENTPD3 O75355 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ TDP2 O95551 1/20 0.43
▸ CBX7 O95931 1/20 0.43

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
SCHEMBL8114507 0.84 TIMP3 (0.48) TIMP3CYP1A2SMN1; SMN2ALDH1A1RECQL
SCHEMBL10792013 0.83 TIMP3 (0.47) TIMP3CYP1A2ALDH1A1RECQLHSD17B10
SCHEMBL942276 0.83 CASP6 (0.51) TIMP3CYP1A2ALDH1A1RECQLHSD17B10
SCHEMBL8417845 0.82 TIMP3 (0.53) TIMP3CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10791619 0.81 TIMP3 (0.47) TIMP3CYP1A2ALDH1A1RECQLHSD17B10
SCHEMBL9697630 0.80 NT5E (0.53) TIMP3CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5720482 0.80 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL11313279 0.80 CA1 (0.48) TIMP3CYP1A2ALDH1A1RECQLHSD17B10
SCHEMBL10787792 0.80 TIMP3 (0.48) TIMP3CYP1A2SMN1; SMN2ALDH1A1RECQL
SCHEMBL10943480 0.80 TIMP3 (0.48) TIMP3CYP1A2SMN1; SMN2ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229440-A1 Disazo dyes, and copper complexes thereof, for dyeing paper KASER ADOLF 2006-10-12 — — US disclosed
US-7078497-B2 Disazo dyes, and copper complexes thereof, for dyeing paper CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-07-18 — — US disclosed
EP-1345992-B1 DISAZO DYES, AND COPPER COMPLEXES THEREOF, FOR DYEING PAPER CIBA SC HOLDING AG (CH) 2006-07-05 — — EP disclosed
EP-0555699-B1 Process for the preparation of aminourethanes BAYER AG (DE) 1998-01-07 — — EP disclosed
EP-0555699-A2 Aromatic compounds substituted by an urethane group and by an amino group BAYER AG (DE) 1993-08-18 — — 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-20060229440-A1 Disazo dyes, and copper complexes thereof, for dyeing paper AOC1, SOD1, AOC3 TIMP3 2885/4885CYP1A2 317/4885CYP2C9 63/4885

“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.

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