SCHEMBL21459637

SCHEMBL21459637

CC(C)C[C@@H](C(=O)O)n1ccncc1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
BCL2 P10415 5/20 0.38
BCL2L2 Q92843 5/20 0.38
GCK P35557 1/20 0.38
MCL1 Q07820 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NTSR1 P30989 2/20 0.36
F10 P00742 1/20 0.35
PTGS2 P35354 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 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
SCHEMBL21459640 1.00 ALDH1A1 (0.38) ALDH1A1TSHRBCL2BCL2L2GCK
SCHEMBL8515260 0.76 LMNA (0.43) GCKMCL1NTSR1MMP1MMP3
SCHEMBL21459362 0.76 BCL2 (0.47) ALDH1A1BCL2BCL2L2MCL1NTSR1
SCHEMBL21459361 0.76 BCL2 (0.47) ALDH1A1BCL2BCL2L2MCL1NTSR1
SCHEMBL21459812 0.75 GCK (0.45) ALDH1A1BCL2BCL2L2GCKMCL1
SCHEMBL21484480 0.75 GCK (0.45) ALDH1A1BCL2BCL2L2GCKMCL1
SCHEMBL21459810 0.75 GCK (0.45) ALDH1A1BCL2BCL2L2GCKMCL1
SCHEMBL28511063 0.74 MCL1 (0.47) BCL2BCL2L2GCKMCL1SMN1; SMN2
SCHEMBL1106466 0.74 NFATC1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL21852156 0.74 ALDH1A1 (0.66) ALDH1A1TSHRBCL2BCL2L2GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773573-B1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC INC (US) 2026-03-18 EP disclosed
US-12221416-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2025-02-11 US disclosed
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2024-09-05 US disclosed
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2022-10-27 US disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
EP-3773573-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) Morphic Therapeutic, Inc. (US) 2021-02-17 EP disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 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-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
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 US disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO 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 (7 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-12221416-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 ALDH1A1 1396/4885TSHR 1169/4885BCL2 4496/4885
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 ALDH1A1 1361/4885TSHR 1185/4885BCL2 4069/4885
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 ALDH1A1 1361/4885TSHR 1185/4885BCL2 4069/4885
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 ALDH1A1 1361/4885TSHR 1185/4885BCL2 4069/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 ALDH1A1 1457/4885TSHR 959/4885BCL2 4186/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 ALDH1A1 1361/4885TSHR 1185/4885BCL2 4069/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 ALDH1A1 1396/4885TSHR 1169/4885BCL2 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.