SCHEMBL12475133

SCHEMBL12475133

CC(C)(C)OC(=O)NC(CCc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.64
PPARG P37231 9/20 0.64
CTSK P43235 5/20 0.55
CTSS P25774 4/20 0.55
PPARD Q03181 2/20 0.48
TGM2 P21980 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 2/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL31407637 1.00 PPARA (0.64) PPARAPPARGCTSKCTSSPPARD
SCHEMBL12475131 1.00 PPARA (0.64) PPARAPPARGCTSKCTSSPPARD
Valine SCHEMBL2747379 0.91 PPARA (0.56) PPARAPPARGCTSKCTSSPPARD
SCHEMBL23176836 0.91 PPARA (0.60) PPARAPPARGCTSKCTSSPPARD
SCHEMBL12305805 0.90 CTSK (0.57) PPARAPPARGCTSKCTSSPPARD
SCHEMBL8239148 0.90 CTSK (0.57) PPARAPPARGCTSKCTSSPPARD
SCHEMBL16384170 0.89 PPARA (0.54) PPARAPPARGCTSKCTSSPPARD
SCHEMBL28578196 0.89 PPARA (0.55) PPARAPPARGCTSKCTSSPPARD
SCHEMBL25054091 0.89 PPARA (0.55) PPARAPPARGCTSKCTSSPPARD
SCHEMBL441305 0.87 PPARA (0.67) PPARAPPARGCTSKCTSSPPARD

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
CN-117964683-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
CN-117964684-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN disclosed
EP-2673281-B1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2016-04-13 EP disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
EP-2673281-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2013-12-18 EP disclosed
US-20130316943-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2013-11-28 US disclosed
WO-2012109164-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-08-16 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 (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-20130316943-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 PPARA 2661/4885PPARG 3081/4885CTSK 2946/4885

“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.