SCHEMBL29358994

SCHEMBL29358994

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C=O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.64
▸ CTSK P43235 8/20 0.61
▸ CTSL P07711 8/20 0.60
▸ CTSB P07858 4/20 0.59
▸ PSMB1 P20618 1/20 0.58
▸ PSMB5 P28074 1/20 0.58
▸ PSMB2 P49721 1/20 0.58
▸ CTSS P25774 3/20 0.58
▸ HTRA1 Q92743 1/20 0.58

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
SCHEMBL24549655 0.92 CAPN1 (0.66) CAPN1CTSKCTSLCTSBPSMB1
SCHEMBL29372797 0.92 CAPN1 (0.66) CAPN1CTSKCTSLCTSBPSMB1
SCHEMBL14513399 0.92 CAPN1 (0.66) CAPN1CTSKCTSLCTSBPSMB1
SCHEMBL5805898 0.91 CAPN1 (0.63) CAPN1CTSKCTSLCTSBCTSS
Water SCHEMBL29578866 0.91 CAPN1 (0.65) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL6276287 0.89 CAPN1 (0.72) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL14148469 0.89 CAPN1 (0.72) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL6482122 0.89 CAPN1 (0.72) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL29577873 0.88 CAPN1 (0.60) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL931659 0.87 CAPN1 (0.69) CAPN1CTSKCTSLCTSBHTRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11466252-B2 Expansion and differentiation of inner ear supporting cells and methods of use thereof MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2022-10-11 — — US disclosed
US-20220192984-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING OTIC THERAPEUTIC AGENTS AND RELATED METHODS Frequency Therapeutics, Inc. 2022-06-23 — — US disclosed
EP-3943090-A1 EXPANSION AND DIFFERENTIATION OF INNER EAR SUPPORTING CELLS AND METHODS OF USE THEREOF Massachusetts Eye & Ear Infirmary (US) 2022-01-26 — — 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 (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-20220192984-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING OTIC THERAPEUTIC AGENTS AND RELATED METHODS OTC, EXOSC5, ENTPD5 CAPN1 4143/4885CTSK 711/4885CTSL 337/4885

“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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