SCHEMBL6299014

SCHEMBL6299014

C=Cc1ccc(CO)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
DRD4 P21917 4/20 0.36
TRPA1 O75762 1/20 0.35
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
IDO1 P14902 1/20 0.32
TP53 P04637 1/20 0.32
EGFR P00533 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
PYGL P06737 1/20 0.31
BRAF P15056 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 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
SCHEMBL810172 0.82 ALDH1A1 (0.40) ALDH1A1TRPA1TDP1IDO1TP53
SCHEMBL11928831 0.81 ALDH1A1 (0.43) ALDH1A1TRPA1TDP1TP53EGFR
SCHEMBL6299303 0.80 ALDH1A1 (0.57) ALDH1A1TDP1CYP1A2TSHR
SCHEMBL16961426 0.80 ALDH1A1 (0.39) ALDH1A1TRPA1TDP1IDO1TP53
SCHEMBL27837492 0.78 TRPA1 (0.44) ALDH1A1TRPA1TDP1TP53EGFR
SCHEMBL18097492 0.77 ALDH1A1 (0.39) ALDH1A1TRPA1TDP1IDO1TP53
SCHEMBL16960388 0.77 ALDH1A1 (0.36) ALDH1A1TRPA1TDP1IDO1TP53
SCHEMBL11410490 0.77 TDP1 (0.42) ALDH1A1TRPA1TDP1TP53PYGL
SCHEMBL5115085 0.76 TDP1 (0.41) ALDH1A1TRPA1TDP1TP53EGFR
SCHEMBL17407689 0.76 ALDH1A1 (0.39) ALDH1A1TRPA1TDP1TP53EGFR

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 ALDH1A1 570/4885DRD4 1490/4885TRPA1 2191/4885
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 ALDH1A1 1067/4885DRD4 973/4885TRPA1 3976/4885

“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.