SCHEMBL20522604

SCHEMBL20522604

CCOC(=O)c1cc(OC)ncc1Br

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.45
DPP4 P27487 9/20 0.45
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2249995 0.86 TSHR (0.46) DPP4TSHRALDH1A1KDM4EHPGD
SCHEMBL16475201 0.84 L3MBTL1 (0.49) NNMTTSHRALDH1A1KDM4EHPGD
SCHEMBL12359381 0.83 TSHR (0.46) DPP4TSHRALDH1A1KDM4EHPGD
SCHEMBL24770289 0.80 HCRTR1 (0.42) TSHRALDH1A1KDM4EGAAKMT2A
SCHEMBL30017651 0.80 HCRTR1 (0.42) TSHRALDH1A1KDM4EGAAKMT2A
SCHEMBL15770624 0.80 CYP4F2 (0.46) TSHRALDH1A1KDM4EKMT2AMEN1
SCHEMBL14916430 0.79 LCK (0.53) NNMTTSHRALDH1A1KDM4EHPGD
SCHEMBL16701908 0.79 NNMT (0.47) NNMTTSHRALDH1A1HPGDGAA
SCHEMBL28822718 0.79 NNMT (0.45) NNMTTSHRALDH1A1KDM4EGAA
SCHEMBL3879991 0.79 ALDH1A1 (0.49) TSHRALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968231-B2 Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders SCOHIA PHARMA, INC. (JP) 2021-04-06 US disclosed
US-20200377509-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-03 US disclosed
EP-3601260-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP disclosed
CN-110678458-A Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders 武田药品工业株式会社 2020-01-10 CN disclosed
WO-2018182050-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 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-10968231-B2 Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders GLP1R, GPR119, GPR65 NNMT 2974/4885DPP4 171/4885TSHR 524/4885
US-20200377509-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GLP1R, GPR119, GPR65 NNMT 2974/4885DPP4 171/4885TSHR 524/4885

“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.