SCHEMBL22126665

SCHEMBL22126665

O=C(O)c1ccc(-c2cccs2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.59
▸ ACMSD Q8TDX5 1/20 0.59
▸ PTPN1 P18031 1/20 0.56
▸ ERN1 O75460 1/20 0.54
▸ PRSS12 P56730 1/20 0.54
▸ ACLY P53396 2/20 0.51
▸ XDH P47989 2/20 0.48
▸ SLC22A12 Q96S37 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ FTO Q9C0B1 1/20 0.47
▸ GPR35 Q9HC97 1/20 0.47
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL330966 0.87 PTPN1 (0.60) HNF4AACMSDPTPN1ERN1ACLY
SCHEMBL21857924 0.82 KCNH2 (0.62) PTPN1ACLYKCNH2
SCHEMBL4652841 0.82 PTPN1 (0.51) PTPN1ERN1ACLYKDM4EFTO
SCHEMBL10024278 0.82 KDM4E (0.54) PTPN1ERN1PRSS12ACLYKDM4E
SCHEMBL16256690 0.80 PTPN1 (0.56) PTPN1ERN1ACLYKDM4EFTO
SCHEMBL1981933 0.80 PTPN1 (0.59) PTPN1ERN1ACLYKDM4EFTO
SCHEMBL10024261 0.79 PTPN1 (0.55) PTPN1ERN1ACLYKDM4EFTO
SCHEMBL6068103 0.78 ERN1 (0.64) ERN1KCNH2
SCHEMBL29744559 0.78 ERN1 (0.64) ERN1KCNH2
SCHEMBL29441950 0.78 ACMSD (0.83) HNF4AACMSDPTPN1XDHSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200197418-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES CAUSED BY OXALATE ACCUMULATION UNIV GRANADA (ES) 2020-06-25 — — US disclosed
US-20200197418-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES CAUSED BY OXALATE ACCUMULATION UNIV GRANADA (ES) 2020-06-25 — — 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 (1 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-20200197418-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES CAUSED BY OXALATE ACCUMULATION DOHH, OGDH, EGLN2 HNF4A 4553/4885ACMSD 1084/4885PTPN1 4633/4885

“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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