SCHEMBL7600777

SCHEMBL7600777

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)C(F)C(=O)C(F)C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.61
▸ CTSB P07858 3/20 0.61
▸ CTSS P25774 1/20 0.61
▸ CTSK P43235 1/20 0.61
▸ TACR1 P25103 2/20 0.59
▸ CAPN1 P07384 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ ALOX15 P16050 1/20 0.57

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
SCHEMBL1264469 1.00 CTSL (0.61) CTSLCTSBCTSSCTSKTACR1
SCHEMBL2411802 0.89 TACR1 (0.66) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7275662 0.89 CTSL (0.58) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7275672 0.89 CTSL (0.58) CTSLCTSBCTSSCTSKTACR1
SCHEMBL1264475 0.88 CTSL (0.59) CTSLCTSBCTSSCTSKTACR1
SCHEMBL31397615 0.87 CAPN1 (0.72) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9088735 0.87 CAPN1 (0.72) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10967811 0.87 CAPN1 (0.72) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7281206 0.87 CAPN1 (0.72) CTSLCTSBCTSSCTSKTACR1
SCHEMBL5484209 0.87 CAPN1 (0.72) CTSLCTSBCTSSCTSKTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157327-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING SARS-COV-2 INFECTION The Regents Of The University Of Michigan (US) 2023-04-05 — — EP disclosed
WO-2013087749-A1 POTENTIATION INDUCED BY PDE4 INHIBITORS IN THE TREATMENT OF LEUKEMIA CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-20 — — WO disclosed
US-20130156865-A1 POTENTIATION INDUCED BY PDE4 INHIBITORS IN THE TREATMENT OF LEUKEMIA CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-20 — — US disclosed
US-20020128434-A1 Alpha-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors ZIMMERMAN MARY P (US) 2002-09-12 — — US disclosed
US-6147188-A IRREVERSIBLE CATHEPSIN OR CALPAIN INHIBITORS PROTOTEK, INC. (US) 2000-11-14 — — US disclosed
EP-0863883-A1 ALPHA-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS PROTOTEK, INC., (US) 1998-09-16 — — EP disclosed
EP-0863883-A4 — — 1998-09-16 — — EP disclosed
US-5714484-A α-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors PROTOTEK, INC. (US) 1998-02-03 — — US disclosed
WO-1996040647-A1 α-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS PROTOTEK, INC. (US) 1996-12-19 — — 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 (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-20020128434-A1 Alpha-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors CPN1, CTRL, SERPINB1 CTSL 116/4885CTSB 260/4885CTSS 176/4885
US-20130156865-A1 POTENTIATION INDUCED BY PDE4 INHIBITORS IN THE TREATMENT OF LEUKEMIA PDE4A, PDE4B, PDE4D CTSL 2367/4885CTSB 3529/4885CTSS 4280/4885

“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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