SCHEMBL17079757

SCHEMBL17079757

CC(C)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR119 Q8TDV5 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1H2 P55055 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL31740434 0.89 DPP4 (0.40) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL28721564 0.83 ALDH1A1 (0.41) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL28720780 0.83 ALDH1A1 (0.41) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL28720777 0.83 ALDH1A1 (0.41) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL31740770 0.81 NR1H2 (0.39) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL30859827 0.81 NR1H2 (0.40) ALDH1A1MAPTGPR119HSD17B10NR1H2
SCHEMBL29930442 0.81 NR1H2 (0.46) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL31740951 0.81 NR1H2 (0.40) ALDH1A1MAPTGPR119HSD17B10NR1H2
SCHEMBL31741099 0.80 NR1H2 (0.39) ALDH1A1MAPTGPR119HSD17B10NR1H2
SCHEMBL29930444 0.79 ALDH1A1 (0.39) ALDH1A1MAPTHTTNPC1MAPK1

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
US-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 US disclosed
CN-106232617-B Polymyxin derivatives and their use in combination therapy with different antibiotics 云顶新耀医药科技有限公司 2022-06-24 CN disclosed
EP-3116897-B1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS INC (US) 2022-03-02 EP disclosed
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2021-07-22 US disclosed
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2021-07-22 US disclosed
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2017-03-16 US disclosed
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2017-03-16 US disclosed
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2017-03-16 US disclosed
EP-3116897-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS New Pharma Licence Holdings Limited (MT) 2017-01-18 EP disclosed
WO-2015135976-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS NEW PHARMA LICENCE HOLDINGS LIMITED (MT) 2015-09-17 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 (3 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 ALDH1A1 4864/4885MAPT 4748/4885HTT 4251/4885
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 ALDH1A1 4864/4885MAPT 4748/4885HTT 4251/4885
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, MRPS35 ALDH1A1 4865/4885MAPT 4674/4885HTT 4164/4885

“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.