SCHEMBL19681640

SCHEMBL19681640

CCCCCCCCC(CN(CCC(=O)NCCN(C)CCCS(=O)(=O)O)CCN(CCN(CC(CCCCCCCC)OC(=O)C(C)(C)C)CC(CCCCCCCC)OC(=O)C(C)(C)C)CCN(CC(CCCCCCCC)OC(=O)C(C)(C)C)CC(CCCCCCCC)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.35
TLR2 O60603 1/20 0.33
CASP2 P42575 1/20 0.31
EPHX2 P34913 1/20 0.30
NAAA Q02083 1/20 0.30
NAPEPLD Q6IQ20 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
SCHEMBL24787486 0.86 DNM1 (0.31) DNM1TLR2CASP2
SCHEMBL19681510 0.85 TLR2 (0.31) TLR2EPHX2
SCHEMBL19681638 0.84 DNM1 (0.40) DNM1TLR2CASP2EPHX2NAAA
SCHEMBL19681584 0.83 DNM1 (0.39) DNM1TLR2CASP2EPHX2NAAA
SCHEMBL24787485 0.77 DNM1 (0.33) DNM1TLR2CASP2EPHX2NAAA
SCHEMBL25681904 0.76 TLR2 (0.40) DNM1TLR2NAPEPLD
SCHEMBL24787484 0.76 TLR2 (0.40) DNM1TLR2NAPEPLD
SCHEMBL19681590 0.74 GLS2 (0.37) TLR2EPHX2
SCHEMBL19681579 0.71 GLS2 (0.39) TLR2EPHX2
SCHEMBL25681831 0.69 FAAH (0.36) DNM1CASP2EPHX2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349543-A1 CATIONIC SULFONAMIDE AMINO LIPIDS AND AMPHIPHILIC ZWITTERIONIC AMINO LIPIDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-12-07 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-20170349543-A1 CATIONIC SULFONAMIDE AMINO LIPIDS AND AMPHIPHILIC ZWITTERIONIC AMINO LIPIDS ABHD16A, AARS1, CFTR DNM1 700/4885TLR2 2389/4885CASP2 2627/4885

“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.