SCHEMBL4921792

SCHEMBL4921792

CCn1c(-c2ccc(C)cc2)nc(C(=O)O)c(O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NLRP3 Q96P20 1/20 0.40
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SRC P12931 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALPG P10696 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4919727 0.89 ADORA2B (0.47) ERCC1FEN1ERCC4MEN1KMT2A
SCHEMBL4025290 0.78 ERCC1 (0.71) ERCC1FEN1ERCC4KMT2AALDH1A1
SCHEMBL18874437 0.70 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPK1LMNA
SCHEMBL6266594 0.69 NLRP3 (0.46) ALDH1A1NLRP3MAPK1CASP1CASP7
SCHEMBL18838231 0.69 KMT2A (0.49) KMT2AKDM4EGAAMAPTALPG
SCHEMBL6606816 0.69 NLRP3 (0.59) MEN1KMT2AALDH1A1NLRP3MAPK1
SCHEMBL7977822 0.66 KDM4E (0.47) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL14269637 0.66 ERCC1 (0.44) ERCC1FEN1ERCC4MEN1KMT2A
SCHEMBL14173477 0.66 ADORA2A (0.48) ERCC1FEN1ERCC4KMT2AALDH1A1
SCHEMBL4677848 0.66 ALDH1A1 (0.57) MEN1KMT2AALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use GILEAD SCIENCES, INC. (US) 2008-06-26 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use GILEAD SCIENCES, INC. 2005-12-22 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 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 (4 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-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use TYMP, MTAP, PNP ERCC1 1162/4885FEN1 86/4885ERCC4 373/4885
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use TYMP, MTAP, PNP ERCC1 1162/4885FEN1 86/4885ERCC4 373/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE ERCC1 879/4885FEN1 60/4885ERCC4 236/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE ERCC1 879/4885FEN1 60/4885ERCC4 236/4885

“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.