SCHEMBL6301450

SCHEMBL6301450

Cc1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(=O)O)ccc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 13/20 0.71
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
PMP22 Q01453 1/20 0.57
HIF1A Q16665 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMO O15229 1/20 0.55
JAK2 O60674 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.47

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
SCHEMBL6305901 0.89 SLC22A12 (0.68) SLC22A12KMO
SCHEMBL6300879 0.88 SLC22A12 (0.58) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1050981 0.87 CYP1A2 (0.74) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6299064 0.87 SLC22A12 (0.69) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6301330 0.86 SLC22A12 (0.69) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13750871 0.84 CYP1A2 (0.55) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1049050 0.84 CYP1A2 (0.60) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11975033 0.83 SLC22A12 (1.00) SLC22A12
SCHEMBL6299998 0.82 SLC22A12 (0.52) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1044199 0.81 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.