SCHEMBL21484480

SCHEMBL21484480

Cc1ccn([C@H](CC(C)C)C(=O)O)c(=O)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.45
PTGS2 P35354 3/20 0.43
BCL2 P10415 3/20 0.40
BCL2L2 Q92843 3/20 0.40
MCL1 Q07820 4/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL21459810 1.00 GCK (0.45) GCKPTGS2BCL2BCL2L2MCL1
SCHEMBL21459812 1.00 GCK (0.45) GCKPTGS2BCL2BCL2L2MCL1
SCHEMBL21475918 0.85 GCK (0.49) GCKSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL28511063 0.83 MCL1 (0.47) GCKPTGS2BCL2BCL2L2MCL1
SCHEMBL21459740 0.81 SLC6A3 (0.41) PTGS2SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL21459743 0.81 SLC6A3 (0.41) PTGS2SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL21459451 0.80 PTGS2 (0.39) PTGS2ALDH1A1CYP2C19
SCHEMBL21459789 0.80 PSEN1 (0.44) GCKPTGS2BCL2BCL2L2MCL1
SCHEMBL21459362 0.79 BCL2 (0.47) BCL2BCL2L2MCL1ALDH1A1
SCHEMBL21459361 0.79 BCL2 (0.47) BCL2BCL2L2MCL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
US-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 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 (4 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-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 GCK 2641/4885PTGS2 4366/4885BCL2 4069/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 GCK 2881/4885PTGS2 4519/4885BCL2 4186/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 GCK 2641/4885PTGS2 4366/4885BCL2 4069/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 GCK 3465/4885PTGS2 4438/4885BCL2 4496/4885

“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.