SCHEMBL1430451

SCHEMBL1430451

C=CCOc1ccc(C[C@H](C(=O)O)N(C(=O)OC)C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 11/20 0.43
▸ PPARA Q07869 9/20 0.43
▸ FFAR1 O14842 1/20 0.37
▸ PPARD Q03181 6/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35

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
SCHEMBL6185955 0.87 LTA4H (0.47) PPARGPPARAFFAR1PPARD
SCHEMBL4600010 0.87 LDHA (0.47) PPARGPPARA
SCHEMBL30510242 0.87 LDHA (0.47) PPARGPPARA
SCHEMBL4600752 0.85 CTRB1 (0.40) PPARGPPARAALDH1A1ITGB1ITGA4
SCHEMBL30510366 0.85 CTRB1 (0.40) PPARGPPARAALDH1A1ITGB1ITGA4
SCHEMBL4600067 0.85 CTRB1 (0.40) PPARGPPARAALDH1A1ITGB1ITGA4
SCHEMBL5407004 0.85 CTRB1 (0.40) PPARGPPARAALDH1A1ITGB1ITGA4
SCHEMBL25177964 0.83 ATM (0.39) PPARGPPARAALDH1A1L3MBTL1ITGB1
SCHEMBL30767800 0.83 ATM (0.39) PPARGPPARAALDH1A1L3MBTL1ITGB1
SCHEMBL5403825 0.83 ITGA4 (0.42) PPARGPPARAPPARDALDH1A1ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688645-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2017-06-27 — — US disclosed
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-09-01 — — US disclosed
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 — — US disclosed
US-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-01-28 — — US disclosed
US-9126955-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2015-09-08 — — US disclosed
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-07-24 — — US disclosed
EP-2300462-B1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI SA (FR) 2014-05-21 — — EP disclosed
US-8722655-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of tafia SANOFI (FR) 2014-05-13 — — US disclosed
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-02-06 — — US disclosed
US-8580777-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-11-12 — — US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 — — US disclosed
EP-2300462-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA Sanofi-aventis (FR) 2011-03-30 — — EP disclosed
WO-2009146802-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2009-12-10 — — WO 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 (5 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-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 PPARG 2483/4885PPARA 2356/4885FFAR1 2423/4885
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 PPARG 2483/4885PPARA 2356/4885FFAR1 2423/4885
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 PPARG 2483/4885PPARA 2356/4885FFAR1 2423/4885
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 PPARG 2493/4885PPARA 2357/4885FFAR1 2469/4885
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 PPARG 2483/4885PPARA 2356/4885FFAR1 2423/4885

“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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