SCHEMBL14071539

SCHEMBL14071539

C=CC1=C(C(C)=O)N2C(=O)C(NC(=O)/C(=N\OCC(C)=O)c3csc(N)n3)C2SC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.79
▸ APEX1 P27695 3/20 0.79
▸ APAF1 O14727 2/20 0.79
▸ LMNA P02545 2/20 0.79
▸ L3MBTL1 Q9Y468 2/20 0.79
▸ TSHR P16473 1/20 0.79
▸ PLCG1 P19174 1/20 0.79
▸ ABCC2 Q92887 1/20 0.79
▸ SIRT5 Q9NXA8 1/20 0.79
▸ PSMD14 O00487 1/20 0.78
▸ MMP2 P08253 1/20 0.78
▸ MAPT P10636 5/20 0.69
▸ ABCC4 O15439 2/20 0.69
▸ CNR1 P21554 1/20 0.69
▸ CTDSP1 Q9GZU7 1/20 0.69
▸ NR1I2 O75469 6/20 0.59
▸ HTR2C P28335 1/20 0.59
▸ PPARG P37231 2/20 0.58
▸ ALB P02768 1/20 0.58
▸ SLC22A6 Q4U2R8 1/20 0.58

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
SCHEMBL12374915 0.94 TDP1 (0.77) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL15291405 0.89 TDP1 (0.86) TDP1APEX1APAF1LMNAL3MBTL1
Cefixime SCHEMBL3553107 0.88 TDP1 (1.00) TDP1APEX1APAF1LMNAL3MBTL1
Cefixime SCHEMBL4812946 0.88 TDP1 (1.00) TDP1APEX1APAF1LMNAL3MBTL1
Cefixime SCHEMBL49534 0.88 TDP1 (1.00) TDP1APEX1APAF1LMNAL3MBTL1
Cefixime SCHEMBL16072825 0.88 TDP1 (1.00) TDP1APEX1APAF1LMNAL3MBTL1
Cefixime SCHEMBL3553111 0.88 TDP1 (1.00) TDP1APEX1APAF1LMNAL3MBTL1
Cefixime SCHEMBL9483204 0.88 TDP1 (1.00) TDP1APEX1APAF1LMNAL3MBTL1
Cefixime SCHEMBL17131963 0.88 TDP1 (1.00) TDP1APEX1APAF1LMNAL3MBTL1
Cefixime SCHEMBL4812929 0.88 TDP1 (1.00) TDP1APEX1APAF1LMNAL3MBTL1

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-7427600-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2008-09-23 — — US disclosed
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage NEW RIVER PHARMACEUTICALS INC. (US) 2007-10-04 — — 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-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage VIP, BST2, FCGR3B TDP1 4048/4885APEX1 791/4885APAF1 1586/4885

“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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