SCHEMBL20239555

SCHEMBL20239555

COC(c1cc[nH]n1)C(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KMT2A Q03164 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
SCHEMBL8721701 0.79 MGAM (0.38)
SCHEMBL10957480 0.77 POLB (0.40) CYP3A4SMN1; SMN2
SCHEMBL1023690 0.72
SCHEMBL8952123 0.71 LMNA (0.40) KMT2A
SCHEMBL29201981 0.70 PTGS1 (0.37) SMN1; SMN2KMT2A
SCHEMBL26793342 0.70
SCHEMBL29168146 0.70 CHRM2 (0.30)
SCHEMBL20239547 0.70 MMP12 (0.34) SMN1; SMN2KMT2A
SCHEMBL29168145 0.70 CHRM2 (0.30)
SCHEMBL16993556 0.69 CYP3A4 (0.57) CYP3A4KEAP1NFE2L2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251047-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2022-08-11 US disclosed
EP-3551625-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2019-10-16 EP disclosed
US-20190112275-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2019-04-18 US disclosed
WO-2018111904-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2018-06-21 WO disclosed
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2018-06-14 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 (3 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-20190112275-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 CYP3A4 702/4885KEAP1 1416/4885NFE2L2 2709/4885
US-20220251047-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 CYP3A4 702/4885KEAP1 1416/4885NFE2L2 2709/4885
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 CYP3A4 702/4885KEAP1 1416/4885NFE2L2 2709/4885

“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.