SCHEMBL25587273

SCHEMBL25587273

CC[C@H](CCOC)NC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
CA12 O43570 1/20 0.40
MMP8 P22894 1/20 0.40
CA9 Q16790 1/20 0.40
TAS1R3 Q7RTX0 6/20 0.36
TAS1R1 Q7RTX1 6/20 0.36
TAS1R2 Q8TE23 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33

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
SCHEMBL25587274 1.00 CA1 (0.40) CA1CA2MMP1MMP2CA12
SCHEMBL25587276 1.00 CA1 (0.40) CA1CA2MMP1MMP2CA12
SCHEMBL25587857 0.86 NPSR1 (0.36) NPSR1ALDH1A1CNR2MEN1NPC1
SCHEMBL26199122 0.86 NPSR1 (0.36) NPSR1ALDH1A1CNR2MEN1NPC1
SCHEMBL26199123 0.86 NPSR1 (0.36) NPSR1ALDH1A1CNR2MEN1NPC1
SCHEMBL26023282 0.85 TAS1R3 (0.44) CA1CA2MMP1MMP2CA12
SCHEMBL20418993 0.81 TAS1R3 (0.42) CA1CA2MMP1MMP2CA12
SCHEMBL12788565 0.80 CA12 (0.46) CA1CA2MMP1MMP2CA12
SCHEMBL19983067 0.79 MMP1 (0.44) CA1CA2MMP1MMP2CA12
SCHEMBL25099320 0.76 MMP1 (0.41) CA1CA2MMP1MMP2CA12

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-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CA1 4865/4885CA2 4471/4885MMP1 4198/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP CA1 4847/4885CA2 4309/4885MMP1 4276/4885

“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.