SCHEMBL6299128

SCHEMBL6299128

CC(C)Cc1cc[c]c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
PNMT P11086 2/20 0.36
AKR1C2 P52895 2/20 0.33
AKR1C1 Q04828 1/20 0.33
FAAH O00519 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ALB P02768 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL15067851 0.79 GABRA1 (0.42) GABRA1GABRB2AKR1C2FAAHMEN1
SCHEMBL677764 0.78 GABRA1 (0.41) GABRA1GABRB2AKR1C2FAAHMEN1
SCHEMBL7469143 0.78 GABRA1 (0.41) GABRA1GABRB2AKR1C2FAAHMEN1
SCHEMBL455325 0.77
SCHEMBL27370589 0.76 GABRA1 (0.40) GABRA1GABRB2PNMTAKR1C2MEN1
SCHEMBL921395 0.76 GABRA1 (0.40) GABRA1GABRB2AKR1C2MEN1POLB
SCHEMBL165772 0.76 GABRA1 (0.40) GABRA1GABRB2AKR1C2MEN1POLB
SCHEMBL1859206 0.74 PNMT (0.36) GABRA1GABRB2PNMTAKR1C2AKR1C1
SCHEMBL10367130 0.74
SCHEMBL2005701 0.73 CNR2 (0.39) POLBMAPTALOX5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117342938-A Preparation method of ibuprofen 常州大学 2024-01-05 CN claimed
CN-117342938-A Preparation method of ibuprofen 常州大学 2024-01-05 CN disclosed
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
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 GABRA1 555/4885GABRB2 341/4885PNMT 836/4885
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 GABRA1 1185/4885GABRB2 545/4885PNMT 1289/4885

“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.