SCHEMBL25711796

SCHEMBL25711796

Cc1onc(C(=O)O)c1-c1cccc(-c2cc(Cl)c(O)c(Cl)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 8/20 0.74
▸ PTPN1 P18031 3/20 0.57
▸ AKR1C2 P52895 3/20 0.49
▸ AKR1C1 Q04828 3/20 0.49
▸ BRD4 O60885 1/20 0.43
▸ BRD2 P25440 1/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ FTO Q9C0B1 4/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL1463375 0.78 PTPN1 (0.67) DUSP3PTPN1BRD4BRD2FTO
SCHEMBL410752 0.69 RXRA (0.69) DUSP3AKR1C2AKR1C1
SCHEMBL5424070 0.68 PTGS2 (0.57) FTOPTGS1PTGS2ALDH1A1LMNA
SCHEMBL25736015 0.68 AKR1C2 (0.49) DUSP3PTPN1AKR1C2AKR1C1
SCHEMBL10432374 0.67 DUSP3 (0.60) DUSP3PTPN1PTGS1PTGS2
SCHEMBL21932437 0.66 MEN1 (0.58) PTPN1BRD4BRD2PTGS1PTGS2
SCHEMBL4337496 0.64 DUSP3 (0.56) DUSP3PTPN1PTGS1PTGS2
SCHEMBL14562171 0.64 PTGS2 (0.64) BRD4BRD2CREBBPPTGS1PTGS2
SCHEMBL3564211 0.64 TTR (0.70) DUSP3AKR1C2AKR1C1FTOALDH1A1
SCHEMBL13815993 0.63 GRIA1 (0.46) DUSP3PTPN1PTGS2ALDH1A1LMNA

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 3 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
WO-2023092094-A2 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. (US) 2023-05-25 — — 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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS DUSP3 74/4885PTPN1 3407/4885AKR1C2 1230/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 DUSP3 222/4885PTPN1 1255/4885AKR1C2 2154/4885

“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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