SCHEMBL16319115

SCHEMBL16319115

COC(=O)c1cncc(OCC(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
GRM5 P41594 1/20 0.49
XDH P47989 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
GCK P35557 1/20 0.41
P2RX3 P56373 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
SMPD1 P17405 1/20 0.40

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
SCHEMBL14004766 0.87 ATM (0.49) ATMGRM5CYP11B1CYP11B2SIRT2
SCHEMBL28840394 0.87 ATM (0.51) ATMGRM5CYP11B1CYP11B2SIRT2
SCHEMBL14261068 0.84 NR1H4 (0.51) XDHALDH1A1KDM4ERARARARB
SCHEMBL2175919 0.82 XDH (0.50) ATMXDHGAATSHRALDH1A1
SCHEMBL23167202 0.81 ATM (0.56) ATMGRM5CYP11B1CYP11B2SIRT2
SCHEMBL28060971 0.80 ATM (0.54) ATMGRM5CYP11B1CYP11B2SIRT2
SCHEMBL4209337 0.80 ATM (0.57) ATMGRM5CYP11B1CYP11B2SIRT2
SCHEMBL12524683 0.79 ATM (0.53) ATMGRM5CYP11B1CYP11B2TSHR
SCHEMBL31287098 0.79 ATM (0.53) ATMGRM5CYP11B1CYP11B2SIRT2
SCHEMBL1439962 0.79 ATM (0.65) ATMGRM5CYP11B1CYP11B2CYP2A6

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
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-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
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US 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
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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 (4 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 ATM 756/4885GRM5 1664/4885XDH 1688/4885
US-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 ATM 3394/4885GRM5 410/4885XDH 2200/4885
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 ATM 756/4885GRM5 1664/4885XDH 1688/4885
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, MRPS35 ATM 741/4885GRM5 1679/4885XDH 1641/4885

“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.