SCHEMBL2211250

SCHEMBL2211250

COc1ccc2c(c1)c(C=O)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.66
▸ PTGS1 P23219 4/20 0.66
▸ AKR1C3 P42330 4/20 0.66
▸ AKR1C2 P52895 3/20 0.66
▸ PPARG P37231 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ PTGES O14684 1/20 0.66
▸ ABCC3 O15438 1/20 0.66
▸ ABCC4 O15439 1/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ MT-CO2 P00403 1/20 0.66
▸ LMNA P02545 1/20 0.66
▸ ALB P02768 1/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ ABCB1 P08183 1/20 0.66
▸ ALOX5 P09917 1/20 0.66
▸ ADORA3 P0DMS8 1/20 0.66
▸ CXCL8 P10145 1/20 0.66
▸ AR P10275 1/20 0.66

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
SCHEMBL31473954 0.91 ABCB1 (0.66) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL1101913 0.85 PTGS2 (0.71) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL9519146 0.83 PTGS2 (0.69) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL10947779 0.83 PTGS2 (0.60) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL10947785 0.83 PTGS2 (0.60) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL4542475 0.83 PTGS2 (0.75) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL17836951 0.82 PTGS2 (0.71) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL11833600 0.82 PTGS2 (0.67) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL13391124 0.81 PTGS2 (0.66) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL2739295 0.81 PTGS2 (0.66) PTGS2PTGS1AKR1C3AKR1C2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342179-B1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2015-05-27 — — EP disclosed
US-8536210-B2 Compounds for inhibiting semicarbazide-sensitive amine oxidase (SSAO)/vascular adhesion protein-1 (VAP-1) and uses thereof for treatment and prevention of diseases SEMMELWEIS EGYETEM (HU) 2013-09-17 — — US disclosed
US-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2011-10-27 — — US disclosed
EP-2342179-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES Semmelweis Egyetem (HU) 2011-07-13 — — EP disclosed
WO-2010029379-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2010-03-18 — — WO disclosed
US-5250552-A 3-[thiazolidinone, oxazolidinone, imidazolidinone]-indoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-10-05 — — US disclosed
US-5143927-A Antiallergens; lipoxygenase and cyclooxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1992-09-01 — — US disclosed
US-5112846-A Nonsteroidal antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1992-05-12 — — US disclosed
US-5075330-A N-hydroxyamide, N-hydroxythioamide, N-hydroxyurea, and N-hydroxythiourea derivatives of selected NSAIDS as antiinflammatory agents WARNER-LAMBERT CO. (US) 1991-12-24 — — US disclosed
US-4981865-A N-hydroxyamide, N-hydroxythioamide, hydroxyurea, and N-hydroxythiourea derivatives of selected nsaids as antiinflammatory agents WARNER-LAMBERT CO. (US) 1991-01-01 — — 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 (1 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-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOX1, AOC3 PTGS2 3867/4885PTGS1 2015/4885AKR1C3 491/4885

“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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