SCHEMBL4196530

SCHEMBL4196530

CC(=O)Cn1nc(C(=O)O)c(OCc2ccccc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
PKM P14618 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MAOB P27338 2/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGER1 P34995 2/20 0.38
P4HTM Q9NXG6 1/20 0.38
ALKBH1 Q13686 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 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
SCHEMBL4203845 0.84 LMNA (0.48) PTPN1PKMTSHRMAOBLMNA
SCHEMBL4201664 0.82 PKM (0.41) PTPN1PKMGAATSHRLMNA
SCHEMBL4201423 0.80 PKM (0.39) PTPN1PKMGAATSHRALDH1A1
SCHEMBL23115620 0.74 POLB (0.48) PTPN1PKMLMNAHPGDKDM5A
SCHEMBL26690240 0.72 POLB (0.46) PTPN1PKMLMNAHPGDKDM5A
SCHEMBL4210673 0.70 NR4A2 (0.37) PKMGAATSHRMAOBALDH1A1
SCHEMBL4200369 0.69 MEN1 (0.43) MEN1KMT2AMAPT
SCHEMBL4200375 0.69 MEN1 (0.43) MEN1KMT2AMAPT
SCHEMBL4199753 0.68 LMNA (0.47) PKMGAATSHRLMNAHPGD
SCHEMBL29248937 0.67 PTPN1 (0.48) PTPN1GAAMAOBLMNAHPGD

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-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP disclosed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 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-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP PTPN1 2541/4885PKM 1813/4885GAA 2879/4885

“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.