SCHEMBL3577130

SCHEMBL3577130

[CH2]C(COC(=O)C(C)(C)C)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.50
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 3/20 0.33
GAA P10253 2/20 0.32
PRKCD Q05655 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7260758 0.81 PRKCA (0.47) PRKCAPRKCD
SCHEMBL3218918 0.81 TDP1 (0.52) PRKCATDP1TSHRCHRM2CHRM4
SCHEMBL6871769 0.78 PRKCA (0.52) PRKCATDP1TSHRGAAPRKCD
SCHEMBL6882163 0.76 PRKCA (0.58) PRKCATDP1TSHR
SCHEMBL1439932 0.75 PRKCA (0.52) PRKCATSHRGAAPRKCDPOLB
SCHEMBL23049679 0.74 PRKCA (0.50) PRKCATDP1GAAPRKCDPOLB
SCHEMBL14727840 0.74 PRKCA (0.50) PRKCATDP1GAAPRKCDPOLB
SCHEMBL9001018 0.73 PRKCA (0.70) PRKCATDP1GAAPRKCDPOLB
SCHEMBL2100144 0.73
SCHEMBL20599585 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210290787-A1 MACROCYCLE CONJUGATES LUMIPHORE, INC. 2021-09-23 US disclosed
US-20120172323-A1 METHODS FOR TREATING MALARIA, TUBERCULOSIS AND MAC DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
EP-1560821-A4 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed
EP-1560821-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-10 EP disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004096982-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-11 WO disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
EP-1214314-A2 AMINOPIPERIDINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2002-06-19 EP disclosed
EP-1202987-A2 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2002-05-08 EP disclosed
WO-2001007433-A2 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-01 WO disclosed
WO-2001007432-A2 AMINOPIPERIDINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-01 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-20210290787-A1 MACROCYCLE CONJUGATES FOLH1, KLK3, CD47 PRKCA 3809/4885TDP1 3364/4885TSHR 3436/4885
US-20120172323-A1 METHODS FOR TREATING MALARIA, TUBERCULOSIS AND MAC DISEASES MACO1, MPI, ITGAM PRKCA 2942/4885TDP1 4130/4885TSHR 1736/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS PRKCA 4672/4885TDP1 3783/4885TSHR 4018/4885

“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.