SCHEMBL6948343

SCHEMBL6948343

COc1c(N2C[C@H](CF)[C@H](N)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.56
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 2/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
PRKD3 O94806 1/20 0.53
ALOX15 P16050 1/20 0.53
OPRM1 P35372 1/20 0.53
CLK2 P49760 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TOP1 P11387 5/20 0.49
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2C19 P33261 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
SCHEMBL13007031 1.00 KCNH2 (0.56) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6951491 1.00 KCNH2 (0.56) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2181574 0.93 KCNH2 (0.56) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2182802 0.93 KCNH2 (0.56) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5546134 0.93 KCNH2 (0.56) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2181304 0.93 KCNH2 (0.55) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5544793 0.93 KCNH2 (0.55) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6956945 0.90 KCNH2 (0.69) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6947574 0.90 KCNH2 (0.69) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6947572 0.90 KCNH2 (0.69) KCNH2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656952-B2 As antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-02 US claimed
EP-0995744-B1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-02-12 EP claimed
US-20020072608-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-13 US claimed
EP-0995744-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP claimed
US-6656952-B2 As antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-02 US disclosed
EP-0995744-B1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-02-12 EP disclosed
US-20020072608-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-13 US disclosed
EP-0995744-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP 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-20020072608-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE Q6ZSR9, MRPL21, ABCC1 KCNH2 130/4885KDM4E 707/4885ALDH1A1 776/4885

“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.