SCHEMBL6300617

SCHEMBL6300617

CCCCCc1ccc(CO)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CYP3A4 P08684 2/20 0.46
PTGS2 P35354 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 1/20 0.46
HSPE1 P61604 1/20 0.46
HIF1A Q16665 1/20 0.46
TST Q16762 1/20 0.46

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
SCHEMBL6301168 0.95 SKP2 (0.43) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL19000295 0.86 ESR1 (0.46) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9399168 0.84 ESR1 (0.47) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9398749 0.83 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9400265 0.83 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9398814 0.82 SIGMAR1 (0.46) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL28414169 0.82 CYP3A4 (0.51) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL28154532 0.82 PTGS2 (0.53) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL31003472 0.81 TP53 (0.54) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL28774774 0.81 TP53 (0.54) ESR1ADRA2AADORA3TACR2SLC6A2

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 6 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
CN-1268942-A Sulfonamide compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO (JP) 2000-10-04 CN 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 ESR1 4066/4885ADRA2A 70/4885ADORA3 582/4885
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 ESR1 4723/4885ADRA2A 64/4885ADORA3 472/4885

“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.