SCHEMBL23250239

SCHEMBL23250239

CC(C)(F)CC(Br)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
CYP2C19 P33261 1/20 0.33
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL11022237 0.80 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL1691839 0.80 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL21459571 0.80 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL6897321 0.80 ALDH1A1 (0.48) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL21056191 0.76 ALDH1A1 (0.44) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL23250515 0.74 MMP8 (0.36) ALDH1A1MAPT
SCHEMBL19918461 0.73 GABRR1 (0.41) ALDH1A1MAPTPTGS1
SCHEMBL15905686 0.73 GABRR1 (0.41) ALDH1A1MAPTPTGS1
SCHEMBL10266069 0.73 GABRR1 (0.41) ALDH1A1MAPTPTGS1
SCHEMBL8370081 0.72 ALDH1A1 (0.50) ALDH1A1TSHRLCKPPARDZDHHC20

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 9 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
CN-119192137-A Inhibition of human integrin alpha4β7 莫菲克医疗股份有限公司 2024-12-27 CN 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
WO-2021076890-A1 INHIBITING HUMAN INTEGRIN α4β7 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

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 ALDH1A1 1165/4885TSHR 1602/4885LCK 1018/4885
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) ITGB7, ITGB4, ITGA4 ALDH1A1 1165/4885TSHR 1602/4885LCK 1018/4885

“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.