SCHEMBL14260613

SCHEMBL14260613

CN(C)S(=O)(=O)Oc1c2c(c(O)c3nccnc13)C(=O)N(Cc1ccc(F)cc1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP3 P42574 1/20 0.36
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CDC25B P30305 1/20 0.34
ALOX5 P09917 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.31
CA7 P43166 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
ENPP2 Q13822 2/20 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
SCHEMBL13943923 0.89 CYP2C19 (0.42) CYP1A2CYP2C19CASP3KMT2AKDM4E
SCHEMBL4158780 0.84 CYP1A2 (0.43) CYP1A2CYP2C19CASP3CDC25BALOX5
SCHEMBL14260610 0.83 ALDH1A1 (0.33) MEN1KMT2APOLB
SCHEMBL4150996 0.82 CYP1A2 (0.51) CYP1A2CYP2C19CASP3CA12CA1
SCHEMBL13944210 0.82 CYP2C19 (0.37) CYP1A2CYP2C19KMT2AKDM4EMAPT
SCHEMBL4159341 0.78 CDC25B (0.38) CYP1A2CYP2C19CDC25BALOX5KDM4E
SCHEMBL13943914 0.77 CYP2C19 (0.40) CYP1A2CYP2C19CASP3MEN1KMT2A
SCHEMBL4162879 0.76 CASP3 (0.40) CYP1A2CYP2C19CASP3MEN1KMT2A
SCHEMBL13943860 0.74 CNR2 (0.38) MEN1KMT2AKDM4EMAPT
SCHEMBL4162838 0.74 CYP1A2 (0.47) CYP1A2CYP2C19ALOX5KMT2AKDM4E

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-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 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-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE CYP1A2 4127/4885CYP2C19 3332/4885CASP3 3046/4885

“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.