SCHEMBL12475202

SCHEMBL12475202

CCC(=O)Oc1c(NC(=O)OC(C)(C)C)cccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.51
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
EPHX2 P34913 1/20 0.37
ATM Q13315 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
KCNQ4 P56696 3/20 0.37
KCNQ5 Q9NR82 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL2499152 0.84 HSP90AA1 (0.41) POLBLMNARXFP1HPGDKMT2A
SCHEMBL6651046 0.82 RXFP1 (0.39) POLBLMNARXFP1HPGDKMT2A
SCHEMBL29019451 0.82 RXFP1 (0.41) POLBLMNARXFP1HPGDKDM4E
SCHEMBL2078471 0.81 RXFP1 (0.38) POLBLMNARXFP1HPGDKMT2A
SCHEMBL28875790 0.81 RXFP1 (0.38) POLBLMNARXFP1HPGDKMT2A
SCHEMBL2149381 0.81 KMT2A (0.41) LMNARXFP1KDM4EKMT2AEPHX2
SCHEMBL29019476 0.81 KMT2A (0.40) MAPK1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL21808583 0.81 RXFP1 (0.39) POLBLMNARXFP1KMT2AEPHX2
SCHEMBL28875815 0.81 RXFP1 (0.38) POLBLMNARXFP1KDM4EKMT2A
SCHEMBL6156011 0.80 RXFP1 (0.39) POLBLMNARXFP1EPHX2KCNQ4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 614/4885LMNA 2170/4885RXFP1 3137/4885

“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.