SCHEMBL5018440

SCHEMBL5018440

BC(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.46
TGM2 P21980 1/20 0.44
FFAR1 O14842 1/20 0.44
ACE P12821 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALB P02768 1/20 0.43
CTSL P07711 1/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MME P08473 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
FDFT1 P37268 1/20 0.41
CNR2 P34972 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
SCHEMBL31688454 0.82 MMP2 (0.46) FPR2FFAR1ACEHDAC1HDAC8
SCHEMBL31407637 0.80 PPARA (0.64) TGM2ACEPPARGPPARA
SCHEMBL12475133 0.80 PPARA (0.64) TGM2ACEPPARGPPARA
SCHEMBL12475131 0.80 PPARA (0.64) TGM2ACEPPARGPPARA
SCHEMBL5018566 0.80 HDAC1 (0.43) FFAR1HDAC1HDAC8PLAAT3PLAAT5
SCHEMBL9622475 0.76 FPR2 (0.52) FPR2ACECTSLMME
SCHEMBL9622480 0.76 FPR2 (0.52) FPR2ACECTSLMME
SCHEMBL31688614 0.74 HDAC1 (0.50) FPR2TGM2FFAR1ACEHDAC1
SCHEMBL22444936 0.74 GRM8 (0.55) FFAR1HDAC1HDAC8FDFT1
SCHEMBL21553586 0.74 GRM8 (0.55) FFAR1HDAC1HDAC8FDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 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 (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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 FPR2 3553/4885TGM2 2858/4885FFAR1 4067/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 FPR2 3553/4885TGM2 2858/4885FFAR1 4067/4885

“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.