SCHEMBL5018968

SCHEMBL5018968

NC(C(=O)O)[C@H](O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.53
PTGS1 P23219 1/20 0.53
ADRA1A P35348 1/20 0.53
LMNA P02545 1/20 0.53
BLM P54132 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
GRM8 O00222 1/20 0.50
GRM4 Q14833 1/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
ACHE P22303 1/20 0.47
KIF11 P52732 1/20 0.44
ACP3 P15309 1/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
HSD11B1 P28845 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL4967991 1.00 NR1I2 (0.53) NR1I2PTGS1ADRA1ALMNABLM
SCHEMBL13205241 0.82 SLC1A3 (0.50) CES2CES1GRM8GRM4SLC1A3
SCHEMBL5225725 0.79 GRM8 (0.50) TDP1CES2CES1GRM8GRM4
SCHEMBL18125936 0.79 GRM8 (0.50) TDP1CES2CES1GRM8GRM4
SCHEMBL11902072 0.79 GRM8 (0.50) TDP1CES2CES1GRM8GRM4
SCHEMBL10030159 0.79 NR1I2 (0.58) NR1I2PTGS1ADRA1ALMNABLM
SCHEMBL8430347 0.79 CES2 (0.50) CES2CES1GRM8GRM4SLC1A3
SCHEMBL16379331 0.79 CES2 (0.50) CES2CES1GRM8GRM4ACP3
SCHEMBL16379328 0.79 CES2 (0.50) CES2CES1GRM8GRM4ACP3
SCHEMBL18627258 0.78 SLC1A3 (0.47) CES2CES1GRM8GRM4SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
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-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 NR1I2 2402/4885PTGS1 1965/4885ADRA1A 4515/4885

“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.