SCHEMBL31588855

SCHEMBL31588855

COc1cc(Br)cc(C[C@H](C(=O)O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.44
▸ MMP13 P45452 4/20 0.43
▸ MMP1 P03956 3/20 0.43
▸ MMP3 P08254 3/20 0.43
▸ MMP7 P09237 3/20 0.43
▸ MMP9 P14780 3/20 0.43
▸ MMP8 P22894 3/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ GPR119 Q8TDV5 2/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ BMP1 P13497 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ YAP1 P46937 2/20 0.39
▸ STS P08842 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL31589272 0.93 DPP4 (0.43) DPP4MMP13MMP1MMP3MMP7
SCHEMBL31588375 0.93 DPP4 (0.43) DPP4MMP13MMP1MMP3MMP7
SCHEMBL31599026 0.90 DPP4 (0.44) DPP4MMP13GPR119IDO1TDO2
SCHEMBL25960195 0.90 DPP4 (0.44) DPP4MMP13GPR119IDO1TDO2
SCHEMBL25339963 0.88 DPP4 (0.45) DPP4MMP13GPR119IDO1TDO2
SCHEMBL30543841 0.88 DPP4 (0.45) DPP4MMP13GPR119IDO1TDO2
SCHEMBL25185296 0.87 DPP4 (0.49) DPP4MMP13GPR119IDO1TDO2
SCHEMBL25185295 0.87 DPP4 (0.49) DPP4MMP13GPR119IDO1TDO2
SCHEMBL30543781 0.87 DPP4 (0.49) DPP4MMP13GPR119IDO1TDO2
SCHEMBL25185297 0.87 DPP4 (0.49) DPP4MMP13GPR119IDO1TDO2

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
US-20250179055-A1 Substituted 2-(pyrrolidine-3-yl)acetic acid derivative, preparation method and use thereof INNOVSTONE THERAPEUTICS LIMITED (CN) 2025-06-05 — — US disclosed
WO-2025103442-A1 SUBSTITUTED 2-(PYRROLIDIN-3-YL)ACETIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2025-05-22 — — 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 (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-20250179055-A1 Substituted 2-(pyrrolidine-3-yl)acetic acid derivative, preparation method and use thereof PCSK9, LPL, LYPLA1 DPP4 125/4885MMP13 1508/4885MMP1 1206/4885

“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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