SCHEMBL28871902

SCHEMBL28871902

CC[C@@H](C)C(Br)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
CA14 Q9ULX7 2/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
HTT P42858 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CA12 O43570 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 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
SCHEMBL10358630 1.00 ZDHHC7 (0.42) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL28871943 1.00 ZDHHC7 (0.42) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL24555610 0.83 ZDHHC7 (0.48) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL6581296 0.82 ALDH1A1 (0.40) ALDH1A1
SCHEMBL23255902 0.82 ALDH1A1 (0.40) ALDH1A1
SCHEMBL21177034 0.79 ZDHHC7 (0.48) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL30438662 0.77 ZDHHC7 (0.42) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL9205071 0.77 ZDHHC7 (0.42) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL17068140 0.77 SMN1; SMN2 (0.48) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL1415223 0.77 SMN1; SMN2 (0.48) ZDHHC7CA1CA2SMN1; SMN2ALDH1A1

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 ZDHHC7 734/4885CA1 3971/4885CA2 3669/4885
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) ITGB7, ITGB4, ITGA4 ZDHHC7 734/4885CA1 3971/4885CA2 3669/4885

“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.