SCHEMBL29949783

SCHEMBL29949783

CCOC(=O)C[C@H](N[S@+]([O-])C(C)C)c1ccnc(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
ROCK2 O75116 1/20 0.33
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AR P10275 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
FPR2 P25090 3/20 0.32
GAA P10253 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL29949964 0.86 AR (0.35) ALDH1A1MAPTROCK2MEN1KMT2A
SCHEMBL21476108 0.86 AR (0.35) ALDH1A1MAPTROCK2MEN1KMT2A
SCHEMBL21476117 0.86 AR (0.35) ALDH1A1MAPTROCK2MEN1KMT2A
SCHEMBL28527830 0.86 AR (0.35) ALDH1A1MAPTROCK2MEN1KMT2A
SCHEMBL29949525 0.86 AR (0.35) ALDH1A1MAPTROCK2MEN1KMT2A
SCHEMBL28527988 0.86 AR (0.35) ALDH1A1MAPTROCK2MEN1KMT2A
SCHEMBL21459494 0.85 CTSA (0.34) ARPOLB
SCHEMBL21459495 0.85 CTSA (0.34) ARPOLB
SCHEMBL21459497 0.85 CTSA (0.34) ARPOLB
SCHEMBL28510739 0.85 CTSA (0.34) ARPOLB

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 1396/4885MAPT 4079/4885ROCK2 2861/4885
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 ALDH1A1 1361/4885MAPT 3710/4885ROCK2 2591/4885
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 ALDH1A1 1361/4885MAPT 3710/4885ROCK2 2591/4885

“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.