SCHEMBL13847876

SCHEMBL13847876

COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.54
DNMT3A Q9Y6K1 1/20 0.46
CA2 P00918 1/20 0.46
PPARA Q07869 10/20 0.45
PPARG P37231 6/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPARD Q03181 2/20 0.45
MPC2 O95563 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CISD1 Q9NZ45 1/20 0.43

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
SCHEMBL13524845 0.93 PTPN1 (0.55) PTPN1CA2PPARAPPARGALDH1A1
SCHEMBL6231739 0.91 PPARA (0.55) PTPN1DNMT3ACA2PPARAPPARG
SCHEMBL13847879 0.90 PTPN1 (0.51) PTPN1CA2PPARAPPARGMPC2
SCHEMBL6376424 0.90 POLB (0.54) PTPN1CA2PPARAPPARGALDH1A1
SCHEMBL6374920 0.89 PPARA (0.57) PTPN1PPARAPPARGALDH1A1PPARD
SCHEMBL3922 0.88 PPARA (0.61) PTPN1PPARAPPARGPPARD
SCHEMBL29358494 0.88 PPARA (0.61) PTPN1PPARAPPARGPPARD
SCHEMBL20125593 0.88 PPARA (0.61) PTPN1PPARAPPARGPPARD
SCHEMBL6233615 0.88 PTPN1 (0.51) PTPN1CA2PPARAPPARGPPARD
SCHEMBL14379043 0.88 PPARA (0.61) PTPN1PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US 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-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC PTPN1 1271/4885DNMT3A 3170/4885CA2 2638/4885

“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.