SCHEMBL7037023

SCHEMBL7037023

Cc1cc(-c2ccccc2CO)sc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.43
CD274 Q9NZQ7 2/20 0.43
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
BAZ2B Q9UIF8 2/20 0.37
BAZ2A Q9UIF9 2/20 0.37
BRD4 O60885 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
KRAS P01116 1/20 0.35
SOS1 Q07889 1/20 0.35
HTR2C P28335 2/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL20656178 0.78 PDCD1 (0.40) PDCD1CD274IKBKBCHUKBAZ2B
SCHEMBL24801870 0.75 PDCD1 (0.46) PDCD1CD274IKBKBCHUKBAZ2B
SCHEMBL477484 0.72 CYP2A6 (0.53) IKBKB
SCHEMBL5723315 0.72 PDCD1 (0.43) PDCD1CD274IKBKBCHUKBAZ2B
SCHEMBL3858794 0.71 PDCD1 (0.53) PDCD1CD274BAZ2BBAZ2ABRD4
SCHEMBL20656011 0.70 GPR35 (0.38) PDCD1CD274IKBKBCHUKBAZ2B
SCHEMBL1221964 0.70 PDCD1 (0.54) PDCD1CD274BAZ2BBAZ2ABRD4
SCHEMBL25094675 0.69 PDCD1 (0.40) PDCD1CD274BAZ2BBAZ2ABRD4
SCHEMBL25078757 0.69 HIF1A (0.45) PDCD1CD274BAZ2BBAZ2ABRD4
SCHEMBL18719400 0.68 ESR2 (0.40) TP53GAAMAPTALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055058-A1 Combination of a PTPase inhibitor and an ACE inhibitor WYETH 2003-03-20 US disclosed
US-20020198203-A1 Combination of a PTPase inhibitor and a thiazolidinedione agent WYETH (US) 2002-12-26 US disclosed
WO-2002100396-A1 COMBINATION OF A PTPase INHIBITOR AND A THIAZOLIDINEDIONE AGENT WYETH (US) 2002-12-19 WO disclosed
WO-2002100398-A1 COMBINATION OF A PTPASE INHIBITOR AND AN ACE INHIBITOR WYETH (US) 2002-12-19 WO disclosed
WO-2002100397-A1 COMBINATION OF A PTPase INHIBITOR AND AN ANTILIPEMIC AGENT WYETH (US) 2002-12-19 WO disclosed
WO-2002098407-A1 COMBINATION OF A PTPase INHIBITOR AND AN ALPHA-GLUCOSIDASE INHIBITOR WYETH (US) 2002-12-12 WO disclosed
WO-2002098410-A1 COMBINATION OF A PTPASE INHIBITOR AND A SULFONYLUREA AGENT WYETH (US) 2002-12-12 WO disclosed
WO-2002098409-A1 COMBINATION THERAPY FOR TYPE II DIABETES OR SYNDROME X WYETH (US) 2002-12-12 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 (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-20030055058-A1 Combination of a PTPase inhibitor and an ACE inhibitor PTPN1, PTPN5, PTPN6 PDCD1 1365/4885CD274 2370/4885IKBKB 1068/4885
US-20020198203-A1 Combination of a PTPase inhibitor and a thiazolidinedione agent PTPRZ1, PTPRM, PTPRS PDCD1 2613/4885CD274 3577/4885IKBKB 2390/4885

“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.