SCHEMBL6300820

SCHEMBL6300820

COC(=O)c1ccc2sc(C)c(C(=O)c3ccc(Br)cc3Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 2/20 0.43
PFKFB4 Q16877 2/20 0.43
CMA1 P23946 5/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL6299463 0.89 MAPT (0.47) PFKFB3PFKFB4CMA1MAPTCYP1A2
SCHEMBL6300647 0.85 ALDH1A1 (0.46) PFKFB3PFKFB4CMA1MAPTLMNA
SCHEMBL6300546 0.83 MEN1 (0.40) PFKFB3PFKFB4CMA1MAPTLMNA
SCHEMBL6301077 0.82 CMA1 (0.46) PFKFB3PFKFB4CMA1MAPTCYP1A2
SCHEMBL6299399 0.82 ALDH1A1 (0.43) PFKFB3PFKFB4CMA1MAPTCYP1A2
SCHEMBL6305582 0.81 PKM (0.47) PFKFB3PFKFB4CMA1MAPTCYP1A2
SCHEMBL6305130 0.79 HDAC1 (0.40) PFKFB3PFKFB4CMA1MAPTLMNA
SCHEMBL2200649 0.79 MAPK13 (0.47) MAPTCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL6299148 0.78 LMNA (0.47) MAPTCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL6299179 0.77 PFKFB3 (0.45) PFKFB3PFKFB4CMA1MAPTCYP1A2

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 PFKFB3 1526/4885PFKFB4 1642/4885CMA1 304/4885
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 PFKFB3 642/4885PFKFB4 633/4885CMA1 1364/4885

“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.