SCHEMBL5586750

SCHEMBL5586750

Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)OC(=O)[C@@H]2CCCN2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.53
▸ MT-CO2 P00403 3/20 0.53
▸ PTGS1 P23219 4/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CA3 P07451 1/20 0.53
▸ ADRB2 P07550 1/20 0.53
▸ ADRB1 P08588 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ ADRA2B P18089 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA6 P23280 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ PDE4A P27815 1/20 0.53
▸ ADORA1 P30542 1/20 0.53
▸ CA5A P35218 1/20 0.53

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
SCHEMBL8351119 0.80 PTGS2 (0.69) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL8301422 0.79 ELANE (0.43) CYP3A4KMT2AKDM4E
SCHEMBL7404085 0.79 ELANE (0.43) CYP3A4KMT2AKDM4E
SCHEMBL8344019 0.77 PTGS2 (0.63) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL3060996 0.76 ENPP3 (0.41) ADORA3ALDH1A1
SCHEMBL3803839 0.76 ENPP3 (0.41) ADORA3ALDH1A1
SCHEMBL28370009 0.75 PTGS2 (0.71) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL27539865 0.75 KMT2A (0.44) LMNACYP3A4SLC6A2ALDH1A1KMT2A
SCHEMBL28053565 0.74 PTGS2 (0.67) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL6013897 0.73 PTGS2 (0.76) PTGS2MT-CO2PTGS1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379513-B1 PRODRUGS OF COX-2 INHIBITORS PHARMACIA CORP (US) 2007-08-22 — — EP claimed
US-20040002522-A1 Prodrugs of COX-2 inhibitors PHARMACIA CORPORATION 2004-01-01 — — US claimed
EP-1379513-B1 PRODRUGS OF COX-2 INHIBITORS PHARMACIA CORP (US) 2007-08-22 — — EP disclosed
US-20050032852-A1 Prodrugs of cox-2 inhibitors CARTER JEFFERY S (US) 2005-02-10 — — US disclosed
US-6809111-B2 ANTIINFLAMMATORY AGENTS; ANALGESICS PHARMACIA CORPORATION 2004-10-26 — — US disclosed
US-20040002522-A1 Prodrugs of COX-2 inhibitors PHARMACIA CORPORATION 2004-01-01 — — US disclosed
US-6613790-B2 For therapy of cyclooxygenase-2 mediated disease PHARMACIA CORPORATION 2003-09-02 — — US disclosed
US-20030055012-A1 Prodrugs of COX-2 inhibitors PHARMACIA CORPORATION 2003-03-20 — — 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-20030055012-A1 Prodrugs of COX-2 inhibitors PTGS2, PTGS1, PTGES2 PTGS2 1/4885MT-CO2 2037/4885PTGS1 2/4885
US-20040002522-A1 Prodrugs of COX-2 inhibitors PTGS2, PTGS1, PTGES2 PTGS2 1/4885MT-CO2 2037/4885PTGS1 2/4885
US-20050032852-A1 Prodrugs of cox-2 inhibitors PTGS2, PTGES2, PTGER2 PTGS2 1/4885MT-CO2 2024/4885PTGS1 4/4885

“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.

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