SCHEMBL3090944

SCHEMBL3090944

CSCOc1ccc(-c2cc(C(Nc3ccc(C(=O)O)cc3)C3CCCCC3)c(C)o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.43
MMP13 P45452 5/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
SRD5A2 P31213 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TEAD4 Q15561 1/20 0.34
DGAT1 O75907 1/20 0.33
LTA4H P09960 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
SCHEMBL3090795 0.92 RCE1 (0.41) RCE1MMP13MAPTHPGDALDH1A1
SCHEMBL3110170 0.85 MEN1 (0.42) MAPTHPGDGAALMNAMEN1
SCHEMBL3094894 0.85 RCE1 (0.49) RCE1MMP13MAPTHPGDALDH1A1
SCHEMBL3102234 0.85 GCGR (0.42) RCE1MAPTHPGDALDH1A1
SCHEMBL3113651 0.85 RCE1 (0.45) RCE1MMP13ALDH1A1MEN1KMT2A
SCHEMBL3095487 0.85 RCE1 (0.45) RCE1MMP13MAPTALDH1A1MEN1
SCHEMBL3101341 0.84 RCE1 (0.48) RCE1MAPTHPGDALDH1A1GAA
SCHEMBL3099797 0.84 KMT2A (0.34) MMP13MAPTHPGDALDH1A1GAA
SCHEMBL3107553 0.83 RCE1 (0.49) RCE1MMP13MAPTHPGDALDH1A1
SCHEMBL3106785 0.82 ALDH1A1 (0.47) RCE1MAPTHPGDALDH1A1GAA

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP 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
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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 3126/4885MMP13 3966/4885MAPT 4877/4885

“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.