SCHEMBL4694585

SCHEMBL4694585

CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2)S(=O)(=O)CCCN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.40
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSP90AA1 P07900 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
NPC1 O15118 1/20 0.38
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL4693839 0.96 METAP2 (0.40) METAP2LMNAMAPTKDM4EHTT
SCHEMBL5647896 0.89 METAP2 (0.39) METAP2LMNAMAPTKDM4EHTT
SCHEMBL12378132 0.88 MAPT (0.40) METAP2LMNAMAPTKDM4EHTT
SCHEMBL4696056 0.88 COMT (0.37) LMNAMAPTKDM4EHTTSMN1; SMN2
SCHEMBL4693671 0.87 KDM4E (0.37) METAP2LMNAMAPTKDM4EHTT
SCHEMBL12378133 0.87 MAPT (0.39) METAP2LMNAMAPTKDM4EHTT
SCHEMBL4693767 0.86 COMT (0.36) LMNAMAPTKDM4EHTTSMN1; SMN2
SCHEMBL4694920 0.86 USP2 (0.37) LMNAMAPTKDM4EHTTSMN1; SMN2
SCHEMBL13592594 0.86 MAPT (0.38) METAP2LMNAMAPTKDM4EHTT
SCHEMBL4693189 0.86 COMT (0.38) LMNAMAPTKDM4EHTTSMN1; SMN2

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 METAP2 2788/4885LMNA 905/4885MAPT 3536/4885

“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.