SCHEMBL4551420

SCHEMBL4551420

Cc1onc(-c2ccccc2)c1-c1ccccc1S(=O)(=O)N1C(=O)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.50
PTGS1 P23219 6/20 0.50
MT-CO2 P00403 3/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
CA3 P07451 1/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2B P18089 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
SLC6A2 P23975 1/20 0.48
PDE4A P27815 1/20 0.48
ADORA1 P30542 1/20 0.48
CA5A P35218 1/20 0.48

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
SCHEMBL8478481 0.78 PTGS2 (0.59) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6435526 0.78 PTGS2 (0.67) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL29578130 0.78 PTGS2 (0.59) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4538374 0.71 PTGS2 (0.52) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL8477525 0.71 PTGS2 (0.60) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6245202 0.70 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
Sulfamide SCHEMBL4638912 0.70 PTGS2 (0.81) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL8473191 0.70 PTGS2 (0.55) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4537894 0.70 PTGS2 (0.72) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL29577826 0.70 PTGS2 (0.72) PTGS2PTGS1MT-CO2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140234288-A1 Lysosomal Acid Lipase Therapy for NAFLD and Related Diseases CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2014-08-21 US disclosed
US-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-17 US disclosed
US-20090297496-A1 Lysosomal Acid Lipase Therapy for NAFLD and Related Diseases CHILDRENS HOSPITAL MEDICAL CENTER (US) 2009-12-03 US 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 (3 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-20140234288-A1 Lysosomal Acid Lipase Therapy for NAFLD and Related Diseases LIPC, PNLIP, LIPA PTGS2 4087/4885PTGS1 3733/4885MT-CO2 4036/4885
US-20090297496-A1 Lysosomal Acid Lipase Therapy for NAFLD and Related Diseases LIPC, PNLIP, LIPA PTGS2 4076/4885PTGS1 3731/4885MT-CO2 4027/4885
US-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES EDNRB, EDNRA, ADRB1 PTGS2 338/4885PTGS1 238/4885MT-CO2 2947/4885

“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.