SCHEMBL19913368

SCHEMBL19913368

CC(C)C(=O)CC(C(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
RNPEP Q9H4A4 1/20 0.36
TP53 P04637 1/20 0.35
SLC7A5 Q01650 1/20 0.35
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
STING1 Q86WV6 1/20 0.34

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
SCHEMBL19542970 0.80 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL5514949 0.79 TDP1 (0.68) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL14803500 0.79 TDP1 (0.68) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL554957 0.79 TDP1 (0.68) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL16804567 0.78 ECE1 (0.32) SLC1A3SLC1A2SLC1A1
SCHEMBL3217572 0.77 TDP1 (0.50) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL25682838 0.77 TDP1 (0.50) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL25682832 0.77 TDP1 (0.50) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL14803532 0.75 ECE1 (0.53) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL19919887 0.75 ECE1 (0.53) SLC1A3SLC1A2SLC1A1TDP1TP53

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-20230271923-A1 IMAGING AND TARGETING PROGRAMMED DEATH LIGAND-1 (PD-LI) EXPRESSION THE JOHNS HOPKINS UNIVERSTY 2023-08-31 US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 SLC1A3 3693/4885SLC1A2 3008/4885SLC1A1 3675/4885
US-20230271923-A1 IMAGING AND TARGETING PROGRAMMED DEATH LIGAND-1 (PD-LI) EXPRESSION CD274, PDCD1LG2, PDCD1 SLC1A3 3683/4885SLC1A2 3869/4885SLC1A1 3709/4885

“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.