SCHEMBL13129295

SCHEMBL13129295

CSCC(OC(=O)CC(CC(=O)O)C(=O)O)C(CSC)OC(=O)CC(CC(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
CPA1 P15085 2/20 0.33
CPB1 P15086 1/20 0.33
CPA3 P15088 1/20 0.33
CPB2 Q96IY4 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ALOX15 P16050 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
SCHEMBL13515818 0.89 POLB (0.33) FOLH1POLBALDH1A1MMP1MMP2
SCHEMBL3237667 0.77 FOLH1 (0.43) FOLH1POLBALDH1A1MMP1MMP2
SCHEMBL4100218 0.73 EGLN1 (0.47) FOLH1TDP1
SCHEMBL10259513 0.72 FOLH1 (0.46) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL5369808 0.72 FOLH1 (0.50) FOLH1CPA1CPB1CPA3CPB2
Tricarballylic Acid SCHEMBL1821947 0.71 FOLH1 (0.65) FOLH1CPA1CPB1CPA3CPB2
Tricarballylic Acid SCHEMBL34866 0.71 FOLH1 (0.65) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL5051962 0.70 FOLH1 (0.48) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL7767241 0.69 MGAM (0.44) FOLH1ALDH1A1CPA1CPB1CPA3
SCHEMBL28186314 0.69 FOLH1 (0.46) FOLH1CPA1CPB1CPA3CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770442-B2 Self-assembling amphiphilic polymers as anti-cancer agents ALLEXCEL INC. (US) 2017-09-26 US disclosed
US-9770442-B2 Self-assembling amphiphilic polymers as anti-cancer agents ALLEXCEL INC. (US) 2017-09-26 US disclosed
US-20100239659-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTI-CANCER AGENTS ALLEXCEL., INC. (US) 2010-09-23 US disclosed
US-20100239659-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTI-CANCER AGENTS ALLEXCEL., INC. (US) 2010-09-23 US disclosed
US-20100008938-A1 SELF ASSEMBLING AMPHIPHILIC POLYMERS AS ANTIVIRAL AGENTS ALLEXCEL, INC. 2010-01-14 US disclosed
WO-2009011702-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTICANCER AGENTS ALLEXCEL, INC. (US) 2009-01-22 WO disclosed
WO-2008091246-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTIVIRAL AGENTS ALLEXCEL, INC. (US) 2008-07-31 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 (2 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-20100008938-A1 SELF ASSEMBLING AMPHIPHILIC POLYMERS AS ANTIVIRAL AGENTS PICALM, CLTA, HAVCR2 FOLH1 3186/4885POLB 1162/4885ALDH1A1 4248/4885
US-20100239659-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTI-CANCER AGENTS CD44, EPCAM, EGFR FOLH1 1516/4885POLB 3287/4885ALDH1A1 3336/4885

“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.