SCHEMBL2623712

SCHEMBL2623712

CC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)C(CCCCN)NC(=O)[C@@H](CO)NC(=O)C(CO)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.40
▸ CTSS P25774 9/20 0.39
▸ CTSB P07858 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ CTSH P09668 1/20 0.39
▸ CTSC P53634 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CRHR1 P34998 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ F2 P00734 3/20 0.38
▸ PSMB11 A5LHX3 1/20 0.37
▸ PSMA7 O14818 1/20 0.37
▸ PSMB1 P20618 1/20 0.37
▸ PSMA1 P25786 1/20 0.37
▸ PSMA2 P25787 1/20 0.37
▸ PSMA3 P25788 1/20 0.37
▸ PSMA4 P25789 1/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ PSMB9 P28065 1/20 0.37
▸ PSMA5 P28066 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
SCHEMBL22387819 0.92 CTSS (0.40) CTSSCTSBCTSKCTSHCTSC
SCHEMBL15744687 0.90 APLNR (0.40) APLNRCTSSCRHR1CRHR2F2
SCHEMBL15744682 0.88 MMP3 (0.40) APLNRCTSSCTSBCTSKCTSH
SCHEMBL14399315 0.88 CTSS (0.48) CTSSCTSBCTSKCTSHCTSC
SCHEMBL13624749 0.88 CTSS (0.48) CTSSCTSBCTSKCTSHCTSC
SCHEMBL26019657 0.87 CTSS (0.40) APLNRCTSSCTSBCTSKCTSH
SCHEMBL15745525 0.84 APLNR (0.36) APLNRCTSSCTSKCTSHCTSL
SCHEMBL19084162 0.83 APLNR (0.36) APLNRCRHR1CRHR2F2CAPN1
SCHEMBL15745544 0.82 CRHR1 (0.37) APLNRCRHR1CRHR2F2
SCHEMBL30069324 0.81 NTSR2 (0.37) APLNRCTSSCTSBCTSKCTSL

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-8772226-B2 Methods and compositions for the detection of cancer THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 — — US disclosed
US-8772226-B2 Methods and compositions for the detection of cancer THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 — — US disclosed
US-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-19 — — US disclosed
US-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-19 — — 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 (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-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER KLK3, KLK2, KLK5 APLNR 315/4885CTSS 105/4885CTSB 192/4885

“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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