SCHEMBL23249206

SCHEMBL23249206

CCOC(=O)C(CC(C)C)n1cc(Br)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 2/20 0.38
APAF1 O14727 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MCL1 Q07820 1/20 0.36
KDM1A O60341 1/20 0.36
FPR2 P25090 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L2 Q92843 1/20 0.35
ESR1 P03372 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL505945 0.83 FPR2 (0.46) SMAD3APAF1LMNATSHRHTT
SCHEMBL21459786 0.82 ALDH1A1 (0.38) LMNATSHRMAPTSMN1; SMN2MCL1
SCHEMBL23249085 0.81 PPID (0.36) LMNATSHRHTTMAPTSMN1; SMN2
SCHEMBL23249500 0.80 BAZ2B (0.35) SMAD3APAF1LMNATSHRHTT
SCHEMBL23249395 0.80 SMAD3 (0.35) SMAD3APAF1LMNATSHRHTT
SCHEMBL21459642 0.80 SMAD3 (0.40) SMAD3APAF1LMNAMAPTSMN1; SMN2
SCHEMBL21459484 0.80 PPID (0.35) TSHRMAPTKDM4ECYP2C19
SCHEMBL23249544 0.79 MAPK1 (0.38) LMNATSHRMAPTSMN1; SMN2MCL1
SCHEMBL21459499 0.78 KDM4E (0.34) SMAD3APAF1LMNATSHRHTT
SCHEMBL23248939 0.78 MAP2K1 (0.36) SMAD3APAF1LMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559525-A2 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2025-05-28 EP disclosed
EP-4045039-B1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 MORPHIC THERAPEUTIC INC (US) 2025-04-23 EP disclosed
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) MORPHIC THERAPEUTIC, INC. (US) 2024-05-30 US disclosed
CN-115087444-A Inhibition of human integrin alpha 4 β 7 莫菲克医疗股份有限公司 2022-09-20 CN disclosed
EP-4045039-A1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2022-08-24 EP disclosed
US-11370773-B1 Inhibiting human integrin (alpha-4) (beta-7) MORPHIC THERAPEUTIC, INC. (US) 2022-06-28 US disclosed
US-11370773-B1 Inhibiting human integrin (alpha-4) (beta-7) MORPHIC THERAPEUTIC, INC. (US) 2022-06-28 US disclosed
WO-2021076890-A1 INHIBITING HUMAN INTEGRIN α4β7 MORPHIC THERAPEUTIC, INC. (US) 2021-04-22 WO disclosed
WO-2021076902-A1 INHIBITING HUMAN INTEGRIN α 4 β 7 MORPHIC THERAPEUTIC, INC. (US) 2021-04-22 WO disclosed
WO-2021076890-A1 INHIBITING HUMAN INTEGRIN α4β7 MORPHIC THERAPEUTIC, INC. (US) 2021-04-22 WO disclosed
WO-2021076902-A1 INHIBITING HUMAN INTEGRIN α 4 β 7 MORPHIC THERAPEUTIC, INC. (US) 2021-04-22 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 (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-11370773-B1 Inhibiting human integrin (alpha-4) (beta-7) ITGB7, ITGB4, ITGA4 SMAD3 886/4885APAF1 2402/4885LMNA 1882/4885
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) ITGB7, ITGB4, ITGA4 SMAD3 886/4885APAF1 2402/4885LMNA 1882/4885

“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.