SCHEMBL22492250

SCHEMBL22492250

O=C(O)c1cc(Br)cc(Cl)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
AKR1C1 Q04828 3/20 0.47
AKR1C4 P17516 2/20 0.47
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACLY P53396 3/20 0.39
WDR5 P61964 2/20 0.38
SORT1 Q99523 1/20 0.37
NOTUM Q6P988 1/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 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
SCHEMBL16098563 0.85 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL27296775 0.85 ALDH1A1 (0.39) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL16722476 0.82 ALDH1A1 (0.40) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL30300276 0.79 AKR1C2 (0.50) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL671102 0.79 AKR1C2 (0.50) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL5854041 0.79 AKR1C3 (0.61) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL27214493 0.79 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL27964513 0.79 KEAP1 (0.44) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL22492252 0.78 SOS1 (0.43) HSD17B10ALDH1A1SMN1; SMN2NOTUM
SCHEMBL25340705 0.78 AKR1C3 (0.53) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638438-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF Xinthera, Inc. (US) 2025-10-29 EP disclosed
US-20240279214-A1 ALPHA4 BETA7 INEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. 2024-08-22 US disclosed
WO-2024138042-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. (US) 2024-06-27 WO disclosed
WO-2024138042-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. (US) 2024-06-27 WO disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2023-09-07 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. 2022-05-26 US disclosed
US-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. 2022-05-26 US disclosed
EP-3716964-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2020-10-07 EP disclosed
CN-111565717-A Inhibitors of MYST family histone acetyltransferases EPIZYME股份有限公司 2020-08-21 CN 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 (5 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-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A AKR1C3 4086/4885AKR1C2 3642/4885AKR1C1 3818/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A AKR1C3 4086/4885AKR1C2 3642/4885AKR1C1 3818/4885
US-11685732-B2 MYST family histone acetyltransferase inhibitors EP300, KAT2A, KAT6A AKR1C3 4086/4885AKR1C2 3642/4885AKR1C1 3818/4885
US-20240279214-A1 ALPHA4 BETA7 INEGRIN ANTAGONISTS AND USES THEREOF ITGB7, ITGB4, ITGA4 AKR1C3 4147/4885AKR1C2 4120/4885AKR1C1 4159/4885
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 AKR1C3 335/4885AKR1C2 423/4885AKR1C1 522/4885

“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.