SCHEMBL4694920

SCHEMBL4694920

CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2)S(=O)(=O)CCCn1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
CYP19A1 P11511 2/20 0.36
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
COMT P21964 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAPK1 P28482 1/20 0.34
NMT1 P30419 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4696056 0.87 COMT (0.37) KDM4ECOMTLMNAMAPTTDP1
SCHEMBL4694585 0.86 METAP2 (0.40) KDM4EHPGDHSD17B10COMTLMNA
SCHEMBL4693767 0.86 COMT (0.36) KDM4ECOMTLMNAMAPTTDP1
SCHEMBL5648708 0.86 COMT (0.37) KDM4EHPGDCOMTLMNAMAPT
SCHEMBL4693189 0.85 COMT (0.38) KDM4ECOMTLMNAMAPTTDP1
SCHEMBL12378084 0.85 KDM4E (0.38) KDM4ECOMTLMNAMAPTTDP1
SCHEMBL4652222 0.84 KDM4E (0.39) KDM4ECOMTLMNAMAPTTDP1
SCHEMBL29390607 0.84 KDM4E (0.39) KDM4ECOMTLMNAMAPTTDP1
SCHEMBL5647896 0.84 METAP2 (0.39) USP2KDM4ECOMTLMNAMAPT
SCHEMBL12378099 0.84 CNR2 (0.36) KDM4ECOMTLMNAMAPTTDP1

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 5 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
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US 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 USP2 3238/4885CYP19A1 897/4885RXFP1 4864/4885

“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.