SCHEMBL5018566

SCHEMBL5018566

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
FDFT1 P37268 2/20 0.41
FFAR1 O14842 1/20 0.41
KCNH2 Q12809 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
UTS2R Q9UKP6 2/20 0.40
FFAR2 O15552 1/20 0.39
CNR2 P34972 2/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
IDO1 P14902 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.39
NR3C2 P08235 1/20 0.38

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
SCHEMBL16384160 0.80 PPARA (0.50) HDAC1HDAC8FFAR1KCNH2TMEM97
SCHEMBL5018440 0.80 FPR2 (0.46) HDAC1HDAC8FDFT1FFAR1KCNH2
SCHEMBL5332906 0.72 ESRRG (0.47)
SCHEMBL1519784 0.72 EGFR (0.47) FFAR1FFAR2CNR2KMT2A
SCHEMBL26007641 0.70 TMEM97 (0.51) HDAC1HDAC8FDFT1KCNH2TMEM97
SCHEMBL16379332 0.70 TMEM97 (0.50) HDAC1HDAC8FDFT1KCNH2TMEM97
SCHEMBL16154899 0.69 CA2 (0.44) HDAC8TMEM97TAAR1CNR1
SCHEMBL2314749 0.69 FFAR2 (0.61) HDAC1HDAC8UTS2RFFAR2CNR2
SCHEMBL16384171 0.69 PPARG (0.49) HDAC1HDAC8KCNH2TMEM97TAAR1
SCHEMBL2314754 0.69 FFAR2 (0.61) HDAC1HDAC8UTS2RFFAR2CNR2

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 2 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

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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 HDAC1 852/4885HDAC8 661/4885FDFT1 477/4885

“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.