SCHEMBL20522608

SCHEMBL20522608

CCOC(=O)C1CCN(c2cc(OC)ncc2OCC(F)(F)C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
HPGD P15428 1/20 0.46
LGMN Q99538 2/20 0.44
MAPT P10636 6/20 0.42
POLB P06746 5/20 0.42
TP53 P04637 4/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDK2 Q15119 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL22712790 0.81 FFAR4 (0.41)
SCHEMBL22712774 0.80 KMT2A (0.51) MAPK1KMT2AALDH1A1MEN1HPGD
SCHEMBL20522565 0.80 LGMN (0.61) MAPK1KMT2AALDH1A1MEN1HPGD
SCHEMBL20522605 0.77 MAPT (0.61) MAPK1KMT2AALDH1A1MEN1HPGD
SCHEMBL28348630 0.76 FFAR4 (0.35)
SCHEMBL22712733 0.76 ALDH1A1 (0.45) MAPK1KMT2AALDH1A1MEN1HPGD
SCHEMBL20522868 0.75 FFAR4 (0.34) POLB
SCHEMBL19078462 0.73 HPGD (0.58) MAPK1KMT2AALDH1A1MEN1HPGD
SCHEMBL22712745 0.72 ALDH1A1 (0.42) MAPK1KMT2AALDH1A1MEN1HPGD
SCHEMBL4389854 0.72 MAPT (0.57) MAPK1KMT2AALDH1A1MEN1HPGD

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 MAPK1 437/4885KMT2A 2240/4885ALDH1A1 1160/4885
US-20200377509-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GLP1R, GPR119, GPR65 MAPK1 437/4885KMT2A 2240/4885ALDH1A1 1160/4885

“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.