SCHEMBL2568596

SCHEMBL2568596

COC(=O)c1cc(CNC(=O)O)ccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
CYP46A1 Q9Y6A2 1/20 0.48
KDM4E B2RXH2 4/20 0.48
FOLH1 Q04609 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45

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
SCHEMBL534889 0.83 KDM4E (0.50) HPGDCYP46A1KDM4EFOLH1CYP1A2
SCHEMBL10512148 0.83 LOXL2 (0.51) LMNAHPGDCYP46A1KDM4EFOLH1
Hydrochloric Acid SCHEMBL10512036 0.82 CSNK2A1 (0.51) LMNAHPGDCYP46A1KDM4EFOLH1
SCHEMBL27348527 0.81 GABRA1 (0.48) HPGDCYP46A1KDM4EFOLH1CYP1A2
SCHEMBL1775361 0.79 CYP46A1 (0.72) HPGDCYP46A1KDM4ECYP1A2CYP2D6
SCHEMBL2573152 0.79 EGFR (0.57) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2726928 0.78 GAA (0.54) LMNAHPGDCYP46A1KDM4ECYP1A2
SCHEMBL27386788 0.77 EGFR (0.65) LMNAHPGDCYP46A1KDM4ECYP1A2
SCHEMBL24578098 0.77 HDAC7 (0.49) HPGDKDM4EALDH1A1PDCD1CD274
SCHEMBL29775283 0.77 HDAC7 (0.49) HPGDKDM4EALDH1A1PDCD1CD274

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-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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 (2 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 LMNA 677/4885HPGD 1335/4885CYP46A1 1395/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP LMNA 591/4885HPGD 1104/4885CYP46A1 1116/4885

“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.