SCHEMBL15421728

SCHEMBL15421728

COc1ccc(/C=C2/SC(=O)NC2=O)c(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.76
PTPN1 P18031 6/20 0.74
GSK3B P49841 4/20 0.74
PIM1 P11309 4/20 0.67
PIM2 Q9P1W9 4/20 0.67
AKR1B1 P15121 2/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
HPGD P15428 1/20 0.65
ESRRA P11474 1/20 0.62
PIM3 Q86V86 2/20 0.60
PDE4B Q07343 1/20 0.60
ATM Q13315 1/20 0.58
CDC7 O00311 1/20 0.56
DAPK3 O43293 1/20 0.56
DYRK3 O43781 1/20 0.56
MAP4K4 O95819 1/20 0.56
PHKG2 P15735 1/20 0.56
RPS6KB1 P23443 1/20 0.56
CSNK1D P48730 1/20 0.56

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
SCHEMBL1248964 1.00 CA2 (0.76) CA2PTPN1GSK3BPIM1PIM2
SCHEMBL1248963 1.00 CA2 (0.76) CA2PTPN1GSK3BPIM1PIM2
SCHEMBL15101838 0.89 GSK3B (0.70) CA2PTPN1GSK3BPIM1PIM2
SCHEMBL15091371 0.89 GSK3B (0.70) CA2PTPN1GSK3BPIM1PIM2
SCHEMBL8183028 0.86 CA2 (0.62) CA2PTPN1GSK3BPIM1PIM2
SCHEMBL6638506 0.86 CA2 (1.00) CA2GSK3BPIM1PIM2NPC1
SCHEMBL8183030 0.86 CA2 (0.62) CA2PTPN1GSK3BPIM1PIM2
SCHEMBL6638503 0.86 CA2 (1.00) CA2GSK3BPIM1PIM2NPC1
SCHEMBL15421403 0.86 CA2 (0.73) CA2PTPN1GSK3BPIM1PIM2
SCHEMBL15421407 0.86 CA2 (0.73) CA2PTPN1GSK3BPIM1PIM2

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-9896421-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2018-02-20 US disclosed
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2016-04-14 US disclosed
US-9216148-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-12-22 US disclosed
US-20140023603-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-01-23 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 (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-20140023603-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD CA2 4839/4885PTPN1 1719/4885GSK3B 2733/4885
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR CA2 4732/4885PTPN1 1280/4885GSK3B 3223/4885

“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.