SCHEMBL5789476

SCHEMBL5789476

COc1c(F)cc(/C=C2/SC(=O)NC2=O)c(F)c1-c1cc2c(cc1C)C(C)(C)CC(=O)N2C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.46
PTPN1 P18031 5/20 0.38
IGF1R P08069 3/20 0.37
TTR P02766 2/20 0.37
INSR P06213 1/20 0.37
GSK3B P49841 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 1/20 0.36
GLS O94925 1/20 0.36
GLS2 Q9UI32 1/20 0.36
PIM1 P11309 1/20 0.33
AKR1B1 P15121 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
GSK3A P49840 1/20 0.33

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
SCHEMBL5789478 1.00 RXRA (0.46) RXRAPTPN1IGF1RTTRINSR
SCHEMBL5791530 0.89 RXRA (0.59) RXRAPTPN1GLSGLS2GSK3A
SCHEMBL5791533 0.89 RXRA (0.59) RXRAPTPN1GLSGLS2GSK3A
SCHEMBL5789480 0.87 RXRA (0.51) RXRAPTPN1IGF1RGSK3BNPC1
SCHEMBL5789483 0.87 RXRA (0.51) RXRAPTPN1IGF1RGSK3BNPC1
SCHEMBL5790499 0.86 RXRA (0.43) RXRA
SCHEMBL5492857 0.84 PTPN1 (0.43) PTPN1IGF1RTTRINSRGSK3B
SCHEMBL14492595 0.84 PTPN1 (0.43) PTPN1IGF1RTTRINSRGSK3B
SCHEMBL5492859 0.84 PTPN1 (0.43) PTPN1IGF1RTTRINSRGSK3B
SCHEMBL6449503 0.82 PTPN1 (0.43) PTPN1IGF1RTTRINSRGSK3B

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-7102000-B2 Heterocyclic amide derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2006-09-05 US claimed
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2003-11-20 US claimed
US-20060241138-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases PFAHL MAGNUS 2006-10-26 US disclosed
US-7102000-B2 Heterocyclic amide derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2006-09-05 US disclosed
EP-1487443-A4 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-12 EP disclosed
EP-1487443-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-12-22 EP disclosed
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2003-11-20 US disclosed
WO-2003075924-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 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-20060241138-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases HDAC5, KAT5, IGFBP5 RXRA 829/4885PTPN1 2089/4885IGF1R 54/4885
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases GCKR, HDAC5, GPR119 RXRA 955/4885PTPN1 1888/4885IGF1R 21/4885

“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.