SCHEMBL22723020

SCHEMBL22723020

COc1ccc(C[C@H](OC(N)=O)C(=O)C#CCCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.37
▸ PPARA Q07869 4/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PPARD Q03181 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TPH1 P17752 2/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ FAP Q12884 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KLK7 P49862 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL22723021 1.00 LDHA (0.37) LDHAPPARAPPARGPPARDALDH1A1
SCHEMBL28564659 0.89 LDHA (0.34) LDHAPPARAPPARGPPARDALDH1A1
SCHEMBL28564662 0.89 LDHA (0.34) LDHAPPARAPPARGPPARDALDH1A1
SCHEMBL28558404 0.87 ALDH1A1 (0.36) LDHAPPARAPPARGPPARDALDH1A1
SCHEMBL18262422 0.81 LDHA (0.39) LDHAALDH1A1KDM4EACACB
SCHEMBL18262421 0.81 LDHA (0.39) LDHAALDH1A1KDM4EACACB
SCHEMBL20415684 0.79 ITGB3 (0.46) PPARAPPARGALDH1A1
SCHEMBL28558406 0.79 ITGB3 (0.46) PPARAPPARGALDH1A1
SCHEMBL28562308 0.78 SCN9A (0.35) LDHAPPARAPPARGPPARDALDH1A1
SCHEMBL18262544 0.74 LDHA (0.36) LDHAALDH1A1KDM4EACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107848962-B Urea derivative or pharmacologically acceptable salt thereof 杏林制药株式会社 2021-04-09 — — CN disclosed
US-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-12-08 — — 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-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof FPR1, SAAL1, FPR2 LDHA 4466/4885PPARA 1798/4885PPARG 2035/4885

“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.

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