SCHEMBL21296926

SCHEMBL21296926

COc1cc(OC)cc(-c2cccc(Oc3[nH]nnc3C(=O)O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.47
HAO1 Q9UJM8 2/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP4B1 P13584 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP3A5 P20815 1/20 0.45
CYP2A7 P20853 1/20 0.45
CYP3A7 P24462 1/20 0.45
CYP2F1 P24903 1/20 0.45
CYP2C18 P33260 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP2J2 P51589 1/20 0.45
CYP4F2 P78329 1/20 0.45

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
SCHEMBL29799092 1.00 PIN1 (0.47) PIN1HAO1CYP1A1CYP1A2CYP2E1
SCHEMBL21296954 0.92 PRKAG1 (0.50) PIN1HAO1MAPTSMN1; SMN2FFAR1
SCHEMBL29799086 0.92 PRKAG1 (0.50) PIN1HAO1MAPTSMN1; SMN2FFAR1
SCHEMBL21296929 0.89 PIN1 (0.49) PIN1HAO1MAPTFABP1SMN1; SMN2
SCHEMBL21296859 0.89 HAO1 (0.44) PIN1HAO1RXRAFFAR1FFAR4
SCHEMBL29799085 0.89 HAO1 (0.44) PIN1HAO1RXRAFFAR1FFAR4
SCHEMBL21296952 0.88 RXRA (0.51) PIN1HAO1MAPTSMN1; SMN2RXRA
SCHEMBL21296934 0.85 RXRA (0.46) PIN1HAO1RXRA
SCHEMBL22772691 0.85 HAO1 (0.42) PIN1HAO1DHODH
SCHEMBL21296953 0.85 FFAR4 (0.47) PIN1HAO1CYP1A2CYP2C19MAPT

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-11389456-B2 Compounds and methods for treating oxalate-related diseases OXALURX, INC. (US) 2022-07-19 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 WO disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 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-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX PIN1 2801/4885HAO1 14/4885CYP1A1 1291/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX PIN1 2801/4885HAO1 14/4885CYP1A1 1291/4885

“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.