SCHEMBL29949595

SCHEMBL29949595

COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cncc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
AGTR1 P30556 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNA5 P22460 2/20 0.38
AAK1 Q2M2I8 5/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL21459521 1.00 HTT (0.40) HTTLMNAMAPTALDH1A1TP53
SCHEMBL21459359 1.00 HTT (0.40) HTTLMNAMAPTALDH1A1TP53
SCHEMBL21459629 1.00 HTT (0.40) HTTLMNAMAPTALDH1A1TP53
SCHEMBL21459567 0.89 CASP3 (0.43) LMNAMAPTALDH1A1NPSR1AAK1
SCHEMBL21459569 0.89 CASP3 (0.43) LMNAMAPTALDH1A1NPSR1AAK1
SCHEMBL31226755 0.87 AAK1 (0.39) HTTLMNAMAPTALDH1A1TP53
SCHEMBL31226229 0.86 CYP1A2 (0.41) LMNAMAPTALDH1A1TP53TSHR
SCHEMBL31226854 0.86 AAK1 (0.39) LMNAMAPTALDH1A1AAK1MEN1
SCHEMBL21484207 0.86 HTT (0.40) HTTLMNAMAPTALDH1A1TP53
SCHEMBL1419503 0.84 CTSK (0.41) LMNAMAPTALDH1A1TP53TSHR

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 HTT 4407/4885LMNA 2538/4885MAPT 4079/4885
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 HTT 4438/4885LMNA 2383/4885MAPT 3710/4885
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 HTT 4438/4885LMNA 2383/4885MAPT 3710/4885

“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.