SCHEMBL25199383

SCHEMBL25199383

O=C(N[C@@]1(C(=O)O)CCN(C(=O)O)C1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.51
CTSL P07711 5/20 0.51
CTSB P07858 4/20 0.51
CTSK P43235 5/20 0.46
DPP4 P27487 1/20 0.43
KCNH2 Q12809 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
CCR1 P32246 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MGLL Q99685 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 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
SCHEMBL25199386 1.00 CTSS (0.51) CTSSCTSLCTSBCTSKDPP4
SCHEMBL2908157 0.92 CTSS (0.50) CTSSCTSLCTSBCTSKDPP4
SCHEMBL30137703 0.87 CTSS (0.49) CTSSCTSLCTSBCTSKDPP4
SCHEMBL2532056 0.85 CTSS (0.48) CTSSCTSLCTSBCTSKDPP4
SCHEMBL21777407 0.84 CTSL (0.47) CTSSCTSLCTSBSMN1; SMN2LMNA
SCHEMBL21777408 0.84 CTSL (0.47) CTSSCTSLCTSBSMN1; SMN2LMNA
SCHEMBL1151498 0.83 CTSS (0.65) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL21858202 0.82 CTSB (0.46) CTSSCTSLCTSBCTSKDPP4
SCHEMBL143763 0.82 CTSS (0.57) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL29002107 0.81 CTSL (0.42) CTSSCTSLCTSBCTSKDPP4

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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF PARABILIS MEDICINES, INC. 2024-04-11 US disclosed
US-20230271917-A1 AMINO ACIDS PARABILIS MEDICINES, INC. 2023-08-31 US disclosed
EP-4185599-A2 STAPLED PEPTIDES AND METHODS THEREOF Fog Pharmaceuticals, Inc. (US) 2023-05-31 EP disclosed
EP-4185284-A1 AMINO ACIDS Fog Pharmaceuticals, Inc. (US) 2023-05-31 EP disclosed
CN-116113635-A Spiro compounds as melanocortin 4 receptor antagonists and uses thereof 辉瑞公司 2023-05-12 CN 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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF CTNNB1, APC, CTNNA1 CTSS 2634/4885CTSL 1197/4885CTSB 2258/4885
US-20230271917-A1 AMINO ACIDS NPPA, QPCTL, PTMS CTSS 1840/4885CTSL 549/4885CTSB 2360/4885

“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.