SCHEMBL12378094

SCHEMBL12378094

CC(C)[Si](Oc1c2c(c(N(CCN(C)C)S(C)(=O)=O)c3cccnc13)C(=O)N(Cc1ccc(F)cc1)C2=O)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
HTR6 P50406 1/20 0.34
CASP3 P42574 1/20 0.33
KAT2B Q92831 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
PLK1 P53350 1/20 0.31
PTGER4 P35408 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
PARP1 P09874 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4914381 0.90 CYP2C19 (0.39) CYP2C19CYP1A2CASP3KAT2BKDM4E
SCHEMBL4650953 0.90 CYP2C19 (0.39) CYP2C19CYP1A2CASP3KAT2BKDM4E
SCHEMBL12378089 0.89 CYP2C19 (0.35) CYP2C19CYP1A2CASP3KAT2BKDM4E
SCHEMBL12378095 0.85 KDM4E (0.33) CYP2C19CYP1A2HTR6KAT2BKDM4E
SCHEMBL13943914 0.82 CYP2C19 (0.40) CYP2C19CYP1A2CASP3KAT2BKDM4E
SCHEMBL4142536 0.82 CYP1A2 (0.44) CYP2C19CYP1A2CASP3KAT2BKDM4E
SCHEMBL4916625 0.82 CYP2C19 (0.39) CYP2C19CYP1A2CASP3KAT2BKDM4E
SCHEMBL4652233 0.81 CYP2C19 (0.43) CYP2C19CYP1A2CASP3KAT2BKDM4E
SCHEMBL4163236 0.81 CYP1A2 (0.43) CYP2C19CYP1A2CASP3KAT2BKDM4E
SCHEMBL14270410 0.80 CYP2C19 (0.42) CYP2C19CYP1A2CASP3KAT2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 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 (2 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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS CYP2C19 1229/4885CYP1A2 1583/4885HTR6 3270/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI CYP2C19 357/4885CYP1A2 757/4885HTR6 3850/4885

“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.