SCHEMBL17848845

SCHEMBL17848845

CCC(C)C(=O)OC(C)(C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP2C19 P33261 3/20 0.35
HIF1A Q16665 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP8 P22894 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
LMNA P02545 1/20 0.30
PMP22 Q01453 1/20 0.30
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL25468235 0.85 MMP8 (0.32) CYP2C19CYP2D6MMP8CYP3A4CYP1A2
SCHEMBL17878561 0.82 MMP8 (0.40) CYP2C19CYP2D6MMP8CYP3A4CYP1A2
SCHEMBL10148470 0.82 CA1 (0.35) ADRA1ACYP2C19CYP2D6TSHRTDP1
SCHEMBL786077 0.82 CYP3A4 (0.33) CYP2C19CYP2D6TSHRTDP1MMP8
SCHEMBL20609287 0.79 MMP8 (0.31) CYP2C19CYP2D6KDM4EMMP8CYP3A4
SCHEMBL10304138 0.78 LMNA (0.37) ADRA1ACYP2C19CYP2D6TSHRTDP1
SCHEMBL17860868 0.78 CYP3A4 (0.32) CYP2C19CYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL25946680 0.78 HMGCR (0.38) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL12934757 0.78 CYP3A4 (0.32) CYP2C19CYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL15214083 0.78

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-3233889-B1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO LTD (CN) 2022-07-06 EP disclosed
CN-107257803-B Polymyxin antibacterial agents for the treatment of bacterial infections 上海盟科药业股份有限公司 2021-02-05 CN disclosed
EP-3233889-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2017-10-25 EP disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 US disclosed
WO-2016100578-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed
WO-2016100578-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2016-06-23 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-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 HMGCR 4303/4885CHRM1 4859/4885TBXA2R 4412/4885

“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.