SCHEMBL31599052

SCHEMBL31599052

O=C(O)[C@@H](Cc1ccc(Nc2cccc(C[C@H](C(=O)O)[C@H]3CCNC3)c2)cc1)[C@H]1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
JAK3 P52333 2/20 0.39
CPN1 P15169 2/20 0.38
CPB2 Q96IY4 2/20 0.38
ITGB3 P05106 2/20 0.37
ITGAV P06756 2/20 0.37
ITGA2B P08514 2/20 0.37
CPA1 P15085 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGB5 P18084 1/20 0.36
SUV39H1 O43463 1/20 0.36
PRMT1 Q99873 1/20 0.36
SMYD3 Q9H7B4 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
SCHEMBL25961839 1.00 PLA2G10 (0.40) PLA2G10PLA2G2AJAK3CPN1CPB2
SCHEMBL22750389 0.95 CPN1 (0.41) PLA2G10PLA2G2AJAK3CPN1CPB2
SCHEMBL22750391 0.95 CPN1 (0.41) PLA2G10PLA2G2AJAK3CPN1CPB2
SCHEMBL25963075 0.91 CPN1 (0.44) JAK3CPN1CPB2CPA1
Hydrochloric Acid SCHEMBL25340503 0.89 CPN1 (0.43) JAK3CPN1CPB2CPA1
Hydrochloric Acid SCHEMBL25340501 0.89 CPN1 (0.43) JAK3CPN1CPB2CPA1
SCHEMBL25961558 0.88 JAK3 (0.46) PLA2G10PLA2G2AJAK3CPN1CPB2
SCHEMBL31599058 0.88 JAK3 (0.46) PLA2G10PLA2G2AJAK3CPN1CPB2
SCHEMBL25962534 0.87 NPC1 (0.43) JAK3
Hydrochloric Acid SCHEMBL25340173 0.87 JAK3 (0.45) PLA2G10PLA2G2AJAK3CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171399-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY 2025-05-29 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-20250171399-A1 PYRROLIDINE COMPOUNDS SDHA, GMPS, SDHB PLA2G10 2878/4885PLA2G2A 4177/4885JAK3 874/4885

“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.