SCHEMBL28672971

SCHEMBL28672971

CC(C)(C)OC(=O)N1CC[C@@H](OC(=O)ON2C(=O)CCC2=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ PIK3CD O00329 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ GPR119 Q8TDV5 5/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ USP30 Q70CQ3 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
SCHEMBL28679422 1.00 EPHX1 (0.43) EPHX1MAPTKDM4ETHRBPTPN2
SCHEMBL28672973 1.00 EPHX1 (0.43) EPHX1MAPTKDM4ETHRBPTPN2
SCHEMBL7051016 0.95 EPHX1 (0.45) EPHX1MAPTKDM4ETHRBPTPN2
SCHEMBL20484736 0.90 NR1H2 (0.40) EPHX1MAPTKDM4ETHRBPTPN2
SCHEMBL21826214 0.81 MGLL (0.34) NPC1RAB9A
SCHEMBL21826217 0.81 MGLL (0.34) NPC1RAB9A
SCHEMBL21826705 0.81 MGLL (0.34) NPC1RAB9A
SCHEMBL6937576 0.81 EPHX1 (0.56) EPHX1MAPTKDM4ETHRBPTPN2
SCHEMBL12071961 0.80 HPGD (0.50) EPHX1MAPTKDM4ETHRBPTPN2
SCHEMBL17469340 0.80 HPGD (0.50) EPHX1MAPTKDM4ETHRBPTPN2

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
CN-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 — — CN disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 — — US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 — — US disclosed
CN-113195053-A Amino acid compounds and methods of use 普利安特治疗公司 2021-07-30 — — CN 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL EPHX1 4103/4885MAPT 3775/4885KDM4E 3249/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 EPHX1 4276/4885MAPT 3524/4885KDM4E 3124/4885

“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.

Send feedback