SCHEMBL28872183

SCHEMBL28872183

CCOC(=O)[C@@H](Br)CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.36
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.33
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP2D6 P10635 1/20 0.33
SOAT1 P35610 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 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
SCHEMBL11378743 1.00 L3MBTL1 (0.39) L3MBTL1ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL22123618 0.92 L3MBTL1 (0.37) L3MBTL1ALDH1A1TRPA1CYP2D6NPSR1
SCHEMBL5560916 0.91 METAP2 (0.41) L3MBTL1ALDH1A1CYP2D6NPSR1
SCHEMBL14386506 0.88 CPN1 (0.42) L3MBTL1ALOX15
SCHEMBL2297433 0.88 ALDH1A1 (0.41) L3MBTL1ALDH1A1LMNAGAANPSR1
SCHEMBL25762636 0.82 ZDHHC7 (0.44)
SCHEMBL11368057 0.82 ZDHHC7 (0.44)
SCHEMBL9219750 0.79 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNAHSD17B10GAA
SCHEMBL5322912 0.78 HPGD (0.44) ALDH1A1GAA
SCHEMBL16115972 0.78 L3MBTL1 (0.40) L3MBTL1ALDH1A1LMNAHSD17B10GAA

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 6 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

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 L3MBTL1 910/4885ALDH1A1 1165/4885TRPA1 3514/4885
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) ITGB7, ITGB4, ITGA4 L3MBTL1 910/4885ALDH1A1 1165/4885TRPA1 3514/4885

“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.