SCHEMBL17878558

SCHEMBL17878558

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.37
CPA1 P15085 1/20 0.37
RNPEP Q9H4A4 1/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MME P08473 1/20 0.33
SLC1A1 P43005 1/20 0.32
CTSK P43235 2/20 0.32
KISS1R Q969F8 3/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
SLC7A5 Q01650 1/20 0.31
LAP3 P28838 1/20 0.31

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
SCHEMBL17878560 0.89 PRKCA (0.40) BIRC2CPA1RNPEPSLC1A3SLC1A2
SCHEMBL7224912 0.85 CTSK (0.39) BIRC2RNPEPSLC1A3SLC1A2CA1
SCHEMBL17860697 0.84 CA2 (0.40) SLC1A3SLC1A2CA1CA2SLC1A1
SCHEMBL13293545 0.82 BIRC2 (0.36) BIRC2CPA1RNPEPSLC1A3SLC1A2
SCHEMBL7217293 0.79 CA2 (0.43) BIRC2SLC1A3SLC1A2CA1CA2
SCHEMBL13885559 0.78 CA1 (0.55) BIRC2CPA1SLC1A3SLC1A2CA1
SCHEMBL13541257 0.78 CPA1 (0.44) BIRC2CPA1SLC1A3SLC1A2CA1
SCHEMBL17617124 0.78 CPA1 (0.44) BIRC2CPA1SLC1A3SLC1A2CA1
SCHEMBL13555039 0.78 CPA1 (0.44) BIRC2CPA1SLC1A3SLC1A2CA1
SCHEMBL17532256 0.78 CA1 (0.55) BIRC2CPA1SLC1A3SLC1A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 BIRC2 2575/4885CPA1 1655/4885RNPEP 433/4885

“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.