SCHEMBL26933554

SCHEMBL26933554

CC(C)(C)OC(=O)N(C(=O)O)c1cc2cc(F)cc(C(O)CO)c2cn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PDPK1 O15530 1/20 0.30
SYK P43405 1/20 0.30
SSTR4 P31391 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
SCHEMBL30636388 1.00 GRM2 (0.33) GRM2HDAC1HDAC8HDAC6PDPK1
SCHEMBL29874252 0.95 PDPK1 (0.33) GRM2HDAC1HDAC8HDAC6PDPK1
SCHEMBL26933292 0.83 GRM2 (0.35) GRM2HDAC1HDAC8HDAC6PDPK1
SCHEMBL30636312 0.83 GRM2 (0.35) GRM2HDAC1HDAC8HDAC6PDPK1
SCHEMBL26933099 0.81 PDPK1 (0.32) GRM2HDAC1HDAC8HDAC6PDPK1
SCHEMBL26933027 0.80 SSTR4 (0.35) GRM2HDAC1HDAC8HDAC6SYK
SCHEMBL26933510 0.79 GRM2 (0.34) GRM2HDAC1HDAC8HDAC6PDPK1
SCHEMBL26933098 0.79
SCHEMBL29874548 0.77 GRM2 (0.35) GRM2HDAC1HDAC8HDAC6PDPK1
SCHEMBL26933637 0.77 GABRA1 (0.37) GRM2HDAC1HDAC8HDAC6SYK

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
EP-4313951-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-02-07 EP disclosed
US-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2023-12-19 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-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 GRM2 657/4885HDAC1 989/4885HDAC8 1998/4885

“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.