SCHEMBL2615017

SCHEMBL2615017

C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/OCC(=O)O)c3nc(C)sc3F)[C@H]2SC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.65
APAF1 O14727 2/20 0.65
LMNA P02545 1/20 0.65
TSHR P16473 1/20 0.65
APEX1 P27695 1/20 0.65
PLCG1 P19174 1/20 0.65
ABCC2 Q92887 1/20 0.65
SIRT5 Q9NXA8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
PSMD14 O00487 1/20 0.65
MMP2 P08253 1/20 0.65
MAPT P10636 3/20 0.52
ABCC4 O15439 1/20 0.52
CNR1 P21554 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47

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
SCHEMBL13285180 0.91 TDP1 (0.72) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9481589 0.83 TDP1 (0.72) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9481568 0.83 TDP1 (0.72) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9481983 0.81 TDP1 (0.74) TDP1APAF1LMNATSHRAPEX1
SCHEMBL9481985 0.81 TDP1 (0.74) TDP1APAF1LMNATSHRAPEX1
SCHEMBL11040869 0.80 TDP1 (0.69) TDP1APAF1LMNATSHRAPEX1
SCHEMBL11040874 0.80 TDP1 (0.69) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10670865 0.80 TDP1 (0.76) TDP1APAF1LMNATSHRAPEX1
SCHEMBL11044311 0.80 TDP1 (0.74) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10670855 0.80 TDP1 (0.76) TDP1APAF1LMNATSHRAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS TDP1 1090/4885APAF1 798/4885LMNA 1375/4885

“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.