SCHEMBL25736015

SCHEMBL25736015

CC1=C(c2cccc(-c3cc(Cl)c(O)c(Cl)c3)c2)C(C(=O)O)=NC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 7/20 0.49
▸ AKR1C1 Q04828 7/20 0.49
▸ DUSP3 P51452 5/20 0.46
▸ TTR P02766 2/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ DHODH Q02127 3/20 0.33
▸ ACLY P53396 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MELK Q14680 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
SCHEMBL25736014 0.74 DUSP3 (0.56) AKR1C2AKR1C1DUSP3
SCHEMBL410752 0.69 RXRA (0.69) AKR1C2AKR1C1DUSP3TTRRXRA
SCHEMBL25711796 0.68 DUSP3 (0.74) AKR1C2AKR1C1DUSP3PTPN1
SCHEMBL3564211 0.64 TTR (0.70) AKR1C2AKR1C1DUSP3TTRACLY
SCHEMBL11228183 0.61 AKR1C2 (1.00) AKR1C2AKR1C1PTPN1
SCHEMBL12322465 0.61 RXRA (0.59) AKR1C2AKR1C1TTRRXRARXRB
SCHEMBL410759 0.60 RXRA (0.66) AKR1C2AKR1C1TTRRXRARXRB
SCHEMBL463718 0.59 TTR (1.00) AKR1C2AKR1C1TTR
SCHEMBL17364434 0.58 AKR1C2 (0.61) AKR1C2AKR1C1
SCHEMBL23296152 0.58 RXRA (0.60) AKR1C2AKR1C1RXRARXRBDHODH

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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 — — US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 — — 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 (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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS AKR1C2 1230/4885AKR1C1 1327/4885DUSP3 74/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 AKR1C2 2154/4885AKR1C1 2279/4885DUSP3 222/4885

“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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