SCHEMBL3107670

SCHEMBL3107670

COc1ccc(-c2cc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)c(C)o2)nn1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.34
SCD5 Q86SK9 2/20 0.31
SCD O00767 1/20 0.31
GCG P01275 6/20 0.31
AKR1C3 P42330 2/20 0.31
EPHX2 P34913 1/20 0.31
TEAD4 Q15561 1/20 0.31
NTSR1 P30989 1/20 0.30
MCHR1 Q99705 2/20 0.30
NPC1 O15118 1/20 0.30
PPARG P37231 1/20 0.30
RAB9A P51151 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN5 P54829 1/20 0.30
PTPN11 Q06124 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
GCGR P47871 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL3107019 0.92 RCE1 (0.35) RCE1GCGAKR1C3EPHX2TEAD4
SCHEMBL3101146 0.90 RCE1 (0.36) RCE1GCGAKR1C3EPHX2TEAD4
SCHEMBL3095176 0.88 PTGS2 (0.39) RCE1SCD5SCDGCGMCHR1
SCHEMBL3101825 0.88 MMP13 (0.40) RCE1GCGAKR1C3EPHX2MCHR1
SCHEMBL3101375 0.87 GCG (0.43) GCGGCGR
SCHEMBL3102733 0.85 GCG (0.35) RCE1GCGEPHX2MCHR1MMP13
SCHEMBL3099916 0.85 RCE1 (0.41) RCE1GCGEPHX2TEAD4NPC1
SCHEMBL13093864 0.84 ALDH1A1 (0.41) RCE1GCGTEAD4MCHR1NPC1
SCHEMBL3101066 0.84 AKR1C3 (0.43) RCE1AKR1C3MCHR1
SCHEMBL3109932 0.83 RCE1 (0.38) RCE1GCGAKR1C3EPHX2TEAD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR RCE1 3126/4885SCD5 4694/4885SCD 4815/4885

“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.