SCHEMBL7108627

SCHEMBL7108627

CC(C)(C)OC(=O)N(CC(F)(F)c1ccccn1)c1ccc(C#N)c(CC(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.39
BLM P54132 2/20 0.32
CYP2D6 P10635 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CETP P11597 3/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
PGR P06401 1/20 0.31
THRB P10828 1/20 0.31
ADRB3 P13945 1/20 0.31
OPRK1 P41145 1/20 0.31
PMP22 Q01453 1/20 0.31
KCNH2 Q12809 1/20 0.31
PDE3A Q14432 1/20 0.31
SLC47A1 Q96FL8 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL7111448 0.90 F2 (0.37) F2CYP2D6KCNH2
SCHEMBL7106564 0.86 F2 (0.34) F2BLMCYP2D6CETPCYP3A4
SCHEMBL7154421 0.83 F2 (0.39) F2THRB
SCHEMBL7154410 0.83 F2 (0.42) F2
SCHEMBL7106214 0.82 F2 (0.36) F2BLMCYP2D6CETPSLC22A2
SCHEMBL7156686 0.81 F2 (0.42) F2
SCHEMBL7107964 0.74 KDM4E (0.33) F2THRBPTGDR2
SCHEMBL7238843 0.73 MMP2 (0.36) F2BLMCYP2D6CETP
SCHEMBL7239144 0.72 BLM (0.34) F2BLMCYP2D6CETP
SCHEMBL7154417 0.72 F2 (0.43) F2

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-20030158218-A1 Thrombin inhibitors NANTERMET PHILIPPE G (US) 2003-08-21 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-20030158218-A1 Thrombin inhibitors F2, SERPINC1, TFPI F2 1/4885BLM 2483/4885CYP2D6 3679/4885

“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.