SCHEMBL21664014

SCHEMBL21664014

CC(C)COC(=O)[C@H](CI)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.46
CTSS P25774 7/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CAPN1 P07384 1/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PPARA Q07869 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL29251195 1.00 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL7073369 0.86 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL3926306 0.85 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL3926315 0.85 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL27018510 0.85 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL23788080 0.84 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL24985078 0.84 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL29251120 0.84 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL5147608 0.84 CYP1A2 (0.61) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL27607026 0.84 CYP1A2 (0.61) CTSKCTSSCTSLCTSBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055925-A Process for producing compound or pharmaceutically acceptable salt thereof EA制药株式会社 2024-05-17 CN disclosed
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 US disclosed
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 US disclosed
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 EP 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-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 CTSK 1639/4885CTSS 2496/4885CTSL 1428/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 CTSK 1639/4885CTSS 2496/4885CTSL 1428/4885

“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.