SCHEMBL22697479

SCHEMBL22697479

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

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.63
CTSB P07858 6/20 0.63
CTSL P07711 3/20 0.63
CTSS P25774 2/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.61
PSMB5 P28074 3/20 0.60
PSMB1 P20618 1/20 0.58
PSMB2 P49721 1/20 0.58
CTSK P43235 6/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL29421135 1.00 CASP3 (0.63) CASP3CTSBCTSLCTSSMEN1
SCHEMBL30697417 1.00 CASP3 (0.63) CASP3CTSBCTSLCTSSMEN1
SCHEMBL7055973 0.99 CASP3 (0.62) CASP3CTSBCTSLCTSSMEN1
SCHEMBL7141459 0.90 CASP3 (0.64) CASP3CTSBCTSLCTSSMEN1
SCHEMBL8584619 0.90 CASP3 (0.64) CASP3CTSBCTSLCTSSMEN1
SCHEMBL14341578 0.90 PSMB1 (0.61) CASP3CTSBCTSLCTSSPSMB5
SCHEMBL7050047 0.89 CASP3 (0.63) CASP3CTSBCTSLCTSSMEN1
SCHEMBL29421136 0.88 REN (0.59) CASP3CTSBCTSLPSMB5PSMB1
SCHEMBL14886926 0.88 REN (0.59) CASP3CTSBCTSLPSMB5PSMB1
SCHEMBL23644902 0.87 CASP3 (0.57) CASP3CTSBCTSLCTSSMEN1

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-20230330116-A1 MATERIALS AND METHODS FOR SUPPRESSING AND/OR TREATING BONE RELATED DISEASES AND SYMPTOMS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-10-19 US disclosed
US-11672811-B2 Materials and methods for suppressing and/or treating bone related diseases and symptoms INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-06-13 US disclosed
US-20200368259-A1 MATERIALS AND METHODS FOR SUPPRESSING AND/OR TREATING BONE RELATED DISEASES AND SYMPTOMS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2020-11-26 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 (3 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-20200368259-A1 MATERIALS AND METHODS FOR SUPPRESSING AND/OR TREATING BONE RELATED DISEASES AND SYMPTOMS SOST, TSG101, BST2 CASP3 264/4885CTSB 400/4885CTSL 1311/4885
US-11672811-B2 Materials and methods for suppressing and/or treating bone related diseases and symptoms SOST, TSG101, BST2 CASP3 264/4885CTSB 400/4885CTSL 1311/4885
US-20230330116-A1 MATERIALS AND METHODS FOR SUPPRESSING AND/OR TREATING BONE RELATED DISEASES AND SYMPTOMS SOST, TSG101, ACP3 CASP3 288/4885CTSB 334/4885CTSL 1143/4885

“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.