SCHEMBL23698350

SCHEMBL23698350

O=C(O)c1cc(Br)c2c(c1O)CCO2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 4/20 0.43
▸ AKR1C2 P52895 4/20 0.43
▸ AKR1C1 Q04828 4/20 0.43
▸ AKR1C4 P17516 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTPN1 P18031 4/20 0.40
▸ XDH P47989 2/20 0.39
▸ PTPN2 P17706 1/20 0.37
▸ PTPN6 P29350 1/20 0.37
▸ TTR P02766 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ GPR35 Q9HC97 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ MAPT P10636 1/20 0.32

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
SCHEMBL14235748 0.83 SMN1; SMN2 (0.41) AKR1C3AKR1C2AKR1C1AKR1C4SMN1; SMN2
SCHEMBL23698351 0.82 KDM4E (0.39) SMN1; SMN2PTPN1XDHKDM4EMAPT
SCHEMBL30678550 0.82 KDM4E (0.39) SMN1; SMN2PTPN1XDHKDM4EMAPT
SCHEMBL20558544 0.79 SMN1; SMN2 (0.41) AKR1C3AKR1C2AKR1C1AKR1C4SMN1; SMN2
SCHEMBL20558627 0.79 SMN1; SMN2 (0.41) AKR1C3AKR1C2AKR1C1AKR1C4SMN1; SMN2
SCHEMBL1764708 0.79 CA1 (0.37) PARP1
SCHEMBL20558673 0.77 SMN1; SMN2 (0.41) AKR1C3AKR1C2AKR1C1AKR1C4SMN1; SMN2
SCHEMBL21729876 0.76 SMN1; SMN2 (0.41) AKR1C3AKR1C2AKR1C1AKR1C4SMN1; SMN2
SCHEMBL30863908 0.76 SMN1; SMN2 (0.41) AKR1C3AKR1C2AKR1C1AKR1C4SMN1; SMN2
SCHEMBL27942442 0.76 SMN1; SMN2 (0.41) SMN1; SMN2XDHSLC22A12KDM4EPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012419-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-18 — — US disclosed
CN-112752760-B Heterocyclic compounds 武田药品工业株式会社 2024-01-19 — — CN disclosed
US-20210347786-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-11 — — US disclosed
EP-3858838-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-08-04 — — EP disclosed
CN-112752760-A Heterocyclic compounds 武田药品工业株式会社 2021-05-04 — — 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 (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-20210347786-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, SLC10A1 AKR1C3 549/4885AKR1C2 315/4885AKR1C1 307/4885
US-12012419-B2 Heterocyclic compound SLC10A2, ALPI, SLC10A1 AKR1C3 549/4885AKR1C2 315/4885AKR1C1 307/4885

“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.

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