SCHEMBL12475362

SCHEMBL12475362

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
KIF11 P52732 3/20 0.43
NR1H2 P55055 1/20 0.41
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
SCHEMBL3785258 0.84 TSHR (0.55) TSHRGAAGLAPOLBKIF11
SCHEMBL3786398 0.82 ALDH1A1 (0.38) TSHRGAAGLAPOLBKDM4E
SCHEMBL23088818 0.80 ALDH1A1 (0.36) TSHRGAAGLAPOLBNR1H2
SCHEMBL1243257 0.78 CES2 (0.50) KIF11ARMGLLCYP3A4CES2
SCHEMBL16384318 0.78 SMN1; SMN2 (0.39) KIF11ARMGLLCES2
SCHEMBL29951465 0.78 KIF11 (0.44) KIF11ARALDH1A1HSD17B10ENPP2
SCHEMBL2519858 0.78 IDO1 (0.38) KIF11MGLLCES2
SCHEMBL29689581 0.78 CES2 (0.50) KIF11ARMGLLCYP3A4CES2
SCHEMBL16115138 0.76 HTT (0.42) TSHRKDM4EMAPK1ENPP2CYP3A4
SCHEMBL15543498 0.74 AR (0.43) KIF11ARKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4536668-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2025-04-16 EP disclosed
CN-119630676-A Pyrido [4,3-D ] pyrimidine derivatives as KRAS inhibitors 百时美施贵宝公司 2025-03-14 CN disclosed
US-20240067662-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-02-29 US disclosed
WO-2023240188-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-12-14 WO disclosed
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
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 (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-20240067662-A1 KRAS INHIBITORS KRAS, NRAS, HRAS TSHR 3876/4885GAA 1694/4885GLA 2386/4885
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.