SCHEMBL21549333

SCHEMBL21549333

CCCC(=O)[C@@H](Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.53
▸ CTSS P25774 7/20 0.52
▸ CTSK P43235 6/20 0.52
▸ PPARG P37231 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ CTSB P07858 2/20 0.44
▸ BCL2 P10415 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ ITGA4 P13612 1/20 0.42
▸ ITGB7 P26010 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 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
SCHEMBL21528662 0.85 KIFC1 (0.46) ACEPPARGPPARANOS3NOS1
SCHEMBL21528660 0.85 KIFC1 (0.46) ACEPPARGPPARANOS3NOS1
SCHEMBL975347 0.82 CTSS (0.63) ACECTSSCTSKCTSBCTSL
SCHEMBL29666452 0.82 CTSS (0.57) CTSSCTSKPPARGPPARACTSB
SCHEMBL3556235 0.82 PPARA (0.67) ACECTSSCTSKPPARGPPARA
SCHEMBL8112750 0.82 PPARG (0.60) ACECTSSCTSKPPARGPPARA
SCHEMBL441305 0.82 PPARA (0.67) ACECTSSCTSKPPARGPPARA
SCHEMBL1519728 0.82 PPARA (0.67) ACECTSSCTSKPPARGPPARA
SCHEMBL21549384 0.81 PPARG (0.49) ACECTSSCTSKPPARGPPARA
SCHEMBL1741898 0.81 NOS3 (0.57) ACECTSSCTSKPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384060-B2 Amide compounds and use thereof ALPHALA CO., LTD. (TW) 2022-07-12 — — US disclosed
US-11384060-B2 Amide compounds and use thereof ALPHALA CO., LTD. (TW) 2022-07-12 — — US disclosed
US-20190337915-A1 AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO., LTD. (TW) 2019-11-07 — — 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 (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-20190337915-A1 AMIDE COMPOUNDS AND USE THEREOF GLP1R, IAPP, GPR119 ACE 645/4885CTSS 3664/4885CTSK 3370/4885
US-11384060-B2 Amide compounds and use thereof GLP1R, IAPP, GPR119 ACE 645/4885CTSS 3664/4885CTSK 3370/4885

“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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