SCHEMBL6035522

SCHEMBL6035522

CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)OCc1ccccc1)C(=O)NCC(NC(=O)/C=C/c1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.48
CAPN2 P17655 1/20 0.48
CTSK P43235 7/20 0.47
CTSB P07858 3/20 0.47
CTSL P07711 3/20 0.47
CTSS P25774 2/20 0.47
PSMB1 P20618 2/20 0.46
NPY1R P25929 1/20 0.46
NPY4R P50391 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
SIRT5 Q9NXA8 1/20 0.45
CA5A P35218 1/20 0.45

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
SCHEMBL334617 1.00 CAPN1 (0.48) CAPN1CAPN2CTSKCTSBCTSL
SCHEMBL334449 0.95 PSMB1 (0.49) CAPN1CAPN2CTSKCTSBCTSL
SCHEMBL6034886 0.95 PSMB1 (0.49) CAPN1CAPN2CTSKCTSBCTSL
SCHEMBL4451480 0.95 PSMB1 (0.49) CAPN1CAPN2CTSKCTSBCTSL
SCHEMBL334371 0.95 PSMB1 (0.49) CAPN1CAPN2CTSKCTSBCTSL
SCHEMBL334024 0.95 PSMB1 (0.49) CAPN1CAPN2CTSKCTSBCTSL
SCHEMBL334686 0.95 PSMB1 (0.49) CAPN1CAPN2CTSKCTSBCTSL
SCHEMBL10027658 0.91 PSMB1 (0.47) CAPN1CAPN2CTSKCTSBCTSL
SCHEMBL333906 0.90 CTSK (0.54) CAPN1CAPN2CTSKCTSBCTSL
SCHEMBL335159 0.90 PSMB1 (0.46) CAPN1CAPN2CTSKCTSBCTSL

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
US-9169289-B2 Peptide derivatives for treatment, prevention or alleviation of a condition associated with bone loss or low bone density or to inhibit osteoclast differentiation and stimulation STRONGBONE AB (SE) 2015-10-27 US disclosed
US-20140243274-A1 NOVEL PEPTIDE DERIVATIVES FOR TREATMENT, PREVENTION OR ALLEVIATION OF A CONDITION ASSOCIATED WITH BONE LOSS OR LOW BONE DENSITY OR TO INHIBIT OSTEOCLAST DIFFERENTIATION AND STIMULATION STRONGBONE AB (SE) 2014-08-28 US disclosed
US-8748370-B2 Peptide derivatives for treatment, prevention or alleviation of a condition associated with bone loss or low bone density or to inhibit osteoclast differentiation and stimulation STRONGBONE AB (SE) 2014-06-10 US disclosed
US-20120108515-A1 NOVEL PEPTIDE DERIVATIVES FOR TREATMENT, PREVENTION OR ALLEVIATION OF A CONDITION ASSOCIATED WITH BONE LOSS OR LOW BONE DENSITY OR TO INHIBIT OSTEOCLAST DIFFERENTIATION AND STIMULATION NEOBIOTICS AB (SE) 2012-05-03 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 (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-20120108515-A1 NOVEL PEPTIDE DERIVATIVES FOR TREATMENT, PREVENTION OR ALLEVIATION OF A CONDITION ASSOCIATED WITH BONE LOSS OR LOW BONE DENSITY OR TO INHIBIT OSTEOCLAST DIFFERENTIATION AND STIMULATION BMP2, SOST, BMP1 CAPN1 1948/4885CAPN2 1886/4885CTSK 52/4885
US-20140243274-A1 NOVEL PEPTIDE DERIVATIVES FOR TREATMENT, PREVENTION OR ALLEVIATION OF A CONDITION ASSOCIATED WITH BONE LOSS OR LOW BONE DENSITY OR TO INHIBIT OSTEOCLAST DIFFERENTIATION AND STIMULATION BMP2, CALCRL, ARG1 CAPN1 2260/4885CAPN2 2212/4885CTSK 191/4885

“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.