SCHEMBL4693904

SCHEMBL4693904

C[C@H]1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc3c2N(C)S(C)(=O)=O)C(=O)N1Cc1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TACR1 P25103 3/20 0.31
CYP2D6 P10635 2/20 0.31
HRH1 P35367 1/20 0.31
KAT2B Q92831 5/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 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
SCHEMBL14573710 1.00 MAPK1 (0.32) MAPK1CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL4693900 1.00 MAPK1 (0.32) MAPK1CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL4693897 1.00 MAPK1 (0.32) MAPK1CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL4695318 0.86 TSHR (0.37) CYP3A4CYP2C19CYP1A2CYP2C9TACR1
SCHEMBL14573729 0.86 TSHR (0.37) CYP3A4CYP2C19CYP1A2CYP2C9TACR1
SCHEMBL14573799 0.84 CYP2C19 (0.37) MAPK1CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL4690017 0.83 COMT (0.38) MAPK1CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL4693921 0.83 COMT (0.38) MAPK1CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL4690020 0.83 COMT (0.38) MAPK1CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL14573798 0.83 TACR1 (0.31) TACR1KDM4EALDH1A1MAPT

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
EP-1888581-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-02-20 EP disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
WO-2006125048-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-11-23 WO 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS MAPK1 3304/4885CYP3A4 476/4885CYP2C19 1140/4885

“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.