SCHEMBL3736397

SCHEMBL3736397

CS(=O)(=O)c1ccc(-c2[c]cccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.52
PTGS1 P23219 4/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL8594103 0.81 CA2 (0.57) PTGS2PTGS1
SCHEMBL6609079 0.81 SMN1; SMN2 (0.47) PTGS2
SCHEMBL10922491 0.78 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL9694039 0.77 NPC1 (0.44)
SCHEMBL6608198 0.77 KEAP1 (0.53) PTGS2
SCHEMBL67548 0.74 ACHE (0.38)
SCHEMBL3741612 0.74 ALDH1A1 (0.64)
SCHEMBL6607415 0.74 SCN9A (0.51)
SCHEMBL25097 0.73 ALDH1A1 (0.45)
SCHEMBL769959 0.73 ALDH1A1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US claimed
US-6342510-B1 ANTIINFLAMMATORY AGENTS AND ENZYME INHIBITORS G. D. SEARLE & CO. 2002-01-29 US claimed
EP-2231558-B1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-09-03 EP disclosed
US-8354545-B2 3,4-substituted pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2013-01-15 US disclosed
US-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 US disclosed
US-20100280009-A1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-11-04 US disclosed
EP-2231558-A1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2010-09-29 EP disclosed
WO-2009078932-A1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2009-06-25 WO disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US disclosed
CN-1442139-A Medicinal composition for treating inflammation SEARLE & CO (US) 2003-09-17 CN disclosed
CN-1107058-C Substituted isoxazoles for the treatment of disorders SEARLE & CO (US) 2003-04-30 CN disclosed
US-6342510-B1 ANTIINFLAMMATORY AGENTS AND ENZYME INHIBITORS G. D. SEARLE & CO. 2002-01-29 US disclosed
CN-1181075-A Substituted isoxazoles for the treatment of disorders SEARLE & CO (US) 1998-05-06 CN disclosed
EP-0783486-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-16 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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 PTGS2 1816/4885PTGS1 681/4885ENPP2 718/4885
US-20100280009-A1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 PTGS2 1384/4885PTGS1 710/4885ENPP2 1356/4885

“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.