SCHEMBL3597473

SCHEMBL3597473

CC(=Cc1cccc(F)c1N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
APEX1 P27695 7/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
ERN1 O75460 1/20 0.41
TRPA1 O75762 1/20 0.39
HDAC1 Q13547 1/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3402801 0.82 CYP1A2 (0.58) AKR1C3APEX1CYP1A2CYP3A4CYP2C9
SCHEMBL149582 0.82 CYP1A2 (0.58) AKR1C3APEX1CYP1A2CYP3A4CYP2C9
Guanidine SCHEMBL7165534 0.78 CYP1A2 (0.50) AKR1C3APEX1CYP1A2CYP3A4CYP2C9
Guanidine SCHEMBL7165528 0.78 CYP1A2 (0.50) AKR1C3APEX1CYP1A2CYP3A4CYP2C9
SCHEMBL7008627 0.77 AKR1C3 (0.53) AKR1C3APEX1CYP1A2CYP3A4CYP2C9
SCHEMBL7008624 0.77 AKR1C3 (0.53) AKR1C3APEX1CYP1A2CYP3A4CYP2C9
SCHEMBL4260029 0.76 AKR1C3 (0.42) AKR1C3APEX1KDM4E
SCHEMBL8746671 0.76 AKR1C3 (0.68) AKR1C3APEX1CYP2C9KDM4E
SCHEMBL31666241 0.76 AKR1C3 (0.68) AKR1C3APEX1CYP2C9KDM4E
SCHEMBL3893886 0.76 AKR1C3 (0.68) AKR1C3APEX1CYP2C9KDM4E

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-7709491-B2 Substituted quinazolines as antiviral agents, especially against cytomegaloviruses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-04 US disclosed
US-20060235032-A1 Substituted quinazolines as antiviral agents, especially against cytomegaloviruses AIC246 AG & CO. KG (DE) 2006-10-19 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-20060235032-A1 Substituted quinazolines as antiviral agents, especially against cytomegaloviruses TPMT, EIF2AK2, IRF3 AKR1C3 4525/4885APEX1 2540/4885CYP1A2 1267/4885

“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.