SCHEMBL3785258

SCHEMBL3785258

Nc1ccc(B(O)O)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
GAA P10253 2/20 0.55
GLA P06280 1/20 0.55
POLB P06746 1/20 0.55
NR1H2 P55055 1/20 0.44
KIF11 P52732 3/20 0.39
AR P10275 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 2/20 0.38
MEN1 O00255 1/20 0.38
SRC P12931 1/20 0.38
HPGD P15428 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR9 Q9NR96 1/20 0.38
MAPK1 P28482 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
SCHEMBL12475362 0.84 TSHR (0.50) TSHRGAAGLAPOLBNR1H2
SCHEMBL3783736 0.82 ALDH1A1 (0.38) TSHRGAAGLAPOLBNR1H2
SCHEMBL23088814 0.80 TSHR (0.36) TSHRGAAGLAPOLBNR1H2
SCHEMBL3205095 0.78 SMN1; SMN2 (0.43) KIF11ARMEN1KMT2ANPSR1
SCHEMBL29951765 0.78 SMN1; SMN2 (0.43) KIF11ARMEN1KMT2ANPSR1
SCHEMBL29953597 0.78 NR1I2 (0.42) KIF11ARALDH1A1HSD17B10ENPP2
SCHEMBL496773 0.78 CES2 (0.50) KIF11ARMGLL
SCHEMBL29349652 0.78 CES2 (0.50) KIF11ARMGLL
SCHEMBL29825643 0.78 IDO1 (0.42) KMT2AATMMGLL
SCHEMBL536190 0.78 IDO1 (0.42) KMT2AATMMGLL

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 10 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
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
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
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
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TSHR 1688/4885GAA 1755/4885GLA 2514/4885
US-20130316943-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 TSHR 3660/4885GAA 71/4885GLA 1686/4885

“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.