SCHEMBL17037281

SCHEMBL17037281

O=C(O)CC[C@@H](NC(=O)N[C@H](CCCCn1cc(CCCCCCNC(=O)c2ccc(C(=O)NCCOCCOCCOCCNC(=O)c3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)cc2)nn1)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.52
DGAT1 O75907 12/20 0.51
FOLH1 Q04609 9/20 0.49

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
SCHEMBL20073866 0.91 ALB (0.45) ALB
SCHEMBL17037280 0.82 ALB (0.45) ALB
SCHEMBL18359218 0.82 DGAT1 (0.70) DGAT1FOLH1
SCHEMBL29293807 0.81 DGAT1 (0.64) DGAT1FOLH1
SCHEMBL19248267 0.81 DGAT1 (0.64) DGAT1FOLH1
SCHEMBL17706042 0.80 DGAT1 (0.63) DGAT1FOLH1
SCHEMBL16666080 0.80 FOLH1 (0.62) DGAT1FOLH1
SCHEMBL17706050 0.80 FOLH1 (0.62) DGAT1FOLH1
SCHEMBL19248901 0.80 DGAT1 (0.63) DGAT1FOLH1
SCHEMBL25681677 0.80 DGAT1 (0.62) DGAT1FOLH1

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-20180104354-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2018-04-19 US disclosed
US-20150238631-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-08-27 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 (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-20180104354-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF ICOS, HAVCR2, CD2 ALB 3148/4885DGAT1 2674/4885FOLH1 1953/4885
US-20150238631-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF ICOS, HAVCR2, CD2 ALB 3148/4885DGAT1 2674/4885FOLH1 1953/4885

“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.