SCHEMBL4752157

SCHEMBL4752157

CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccncc1)C2)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.40
COMT P21964 4/20 0.35
DHPS P49366 1/20 0.34
RAB9A P51151 4/20 0.34
NPSR1 Q6W5P4 4/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 3/20 0.34
METAP2 P50579 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
NOD2 Q9HC29 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGER4 P35408 1/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
HSP90AA1 P07900 2/20 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
SCHEMBL12378079 0.94 DHPS (0.39) COMTDHPSRAB9ANPSR1LMNA
SCHEMBL12378216 0.93 COMT (0.35) CTSBCOMTRAB9ANPSR1LMNA
SCHEMBL5650719 0.92 MAPT (0.38) COMTRAB9ANPSR1LMNASMN1; SMN2
SCHEMBL14573665 0.91 ALDH1A1 (0.41) DHPSLMNASMN1; SMN2KDM4EKMT2A
SCHEMBL4689848 0.91 COMT (0.38) COMTRAB9ANPSR1LMNASMN1; SMN2
SCHEMBL29390607 0.91 KDM4E (0.39) COMTRAB9ANPSR1LMNASMN1; SMN2
SCHEMBL4652222 0.91 KDM4E (0.39) COMTRAB9ANPSR1LMNASMN1; SMN2
SCHEMBL14265282 0.90 COMT (0.33) CTSBCOMTDHPSRAB9ANPSR1
SCHEMBL14573808 0.90 PTGER4 (0.34) CTSBDHPSNPSR1LMNASMN1; SMN2
SCHEMBL4693347 0.89 COMT (0.38) COMTRAB9ANPSR1LMNASMN1; 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 CTSB 1449/4885COMT 645/4885DHPS 302/4885

“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.