SCHEMBL21826347

SCHEMBL21826347

O[C@H]1CCCC[C@@H]1C#Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 5/20 0.40
▸ APP P05067 1/20 0.39
▸ GRM5 P41594 4/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL21826348 1.00 SLC18A3 (0.40) SLC18A3APPGRM5CYP2D6SMN1; SMN2
SCHEMBL21826350 1.00 SLC18A3 (0.40) SLC18A3APPGRM5CYP2D6SMN1; SMN2
SCHEMBL11232546 0.74 FFAR1 (0.53) APPGRM5CYP1A2MAPTFFAR1
SCHEMBL21937616 0.74 ALDH1A1 (0.40) SLC18A3APPGRM5TSHRMAPT
SCHEMBL233697 0.73 PTGES (0.36) SLC18A3
SCHEMBL8752132 0.72 CYP1A2 (0.55) APPGRM5CYP1A2MAPTFFAR1
SCHEMBL11225320 0.72 CYP1A2 (0.55) APPGRM5CYP1A2MAPTFFAR1
SCHEMBL232875 0.72 TAAR1 (0.40) SMN1; SMN2NPC1RAB9A
SCHEMBL20551883 0.70 SLC18A3 (0.43) SLC18A3APPCYP1A2CYP2C9CYP3A4
SCHEMBL15266861 0.70 FFAR1 (0.49) APPGRM5SMN1; SMN2CYP1A2MAPT

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-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 — — US disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 — — US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 — — US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 — — US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 — — 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 (5 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 SLC18A3 829/4885APP 2342/4885GRM5 2562/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL SLC18A3 829/4885APP 2342/4885GRM5 2562/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 SLC18A3 1055/4885APP 2581/4885GRM5 3009/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 SLC18A3 1055/4885APP 2581/4885GRM5 3009/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 SLC18A3 1055/4885APP 2581/4885GRM5 3009/4885

“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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