SCHEMBL6301330

SCHEMBL6301330

CCc1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(=O)O)ccc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 13/20 0.69
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
PMP22 Q01453 1/20 0.55
HIF1A Q16665 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.47
PPARG P37231 1/20 0.44

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
SCHEMBL6298607 0.88 SLC22A12 (0.54) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6301450 0.86 SLC22A12 (0.71) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1050981 0.85 CYP1A2 (0.74) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6299732 0.83 SLC22A12 (0.52) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13750871 0.82 CYP1A2 (0.55) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11975938 0.82 SLC22A12 (1.00) SLC22A12
SCHEMBL1049050 0.82 CYP1A2 (0.60) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6299873 0.80 PPARG (0.64) SLC22A12PPARG
SCHEMBL16366286 0.80 CYP1A2 (0.62) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1044199 0.80 ENPP2 (0.54) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9

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-6911469-B2 Sulfonamide compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-28 US disclosed
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 US disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 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 (2 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-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 SLC22A12 822/4885CYP1A2 1473/4885CYP3A4 2770/4885
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM SLC22A12 1685/4885CYP1A2 979/4885CYP3A4 1979/4885

“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.