SCHEMBL16999950

SCHEMBL16999950

CCOC(=O)NC(Cc1ccccc1)C(=O)NC(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.59
CTSB P07858 5/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
TACR1 P25103 2/20 0.54
HLA-DRB1 P01911 1/20 0.53
MMP1 P03956 1/20 0.53
MMP8 P22894 1/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL10802556 0.89 CTSL (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7266645 0.86 CAPN1 (0.62) CTSLCTSBCTSK
SCHEMBL6020588 0.86 CTSL (0.60) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10964365 0.85 MMP8 (0.56) CTSLCTSBCTSSCTSKTACR1
SCHEMBL996293 0.85 L3MBTL1 (0.58) CTSLCTSBCTSSCTSKMMP8
SCHEMBL996291 0.85 L3MBTL1 (0.58) CTSLCTSBCTSSCTSKMMP8
SCHEMBL3769914 0.85 L3MBTL1 (0.58) CTSLCTSBCTSSCTSKMMP8
SCHEMBL26690545 0.85 MMP9 (0.56) CTSSCTSKMMP1MMP8ALDH1A1
SCHEMBL26690546 0.85 MMP9 (0.56) CTSSCTSKMMP1MMP8ALDH1A1
SCHEMBL8244008 0.84 ALDH1A1 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872919-B2 Prodrugs for selective anticancer therapy THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-01-23 US disclosed
US-20160184459-A1 CANCER CELL SPECIFIC IMAGING PROBES AND METHODS OF USE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-06-30 US disclosed
US-20150224208-A1 NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-08-13 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-20160184459-A1 CANCER CELL SPECIFIC IMAGING PROBES AND METHODS OF USE OR10J3, CCR3, GPR3 CTSL 4560/4885CTSB 4526/4885CTSS 4685/4885
US-20150224208-A1 NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY NR4A3, ORC3, NTSR1 CTSL 2728/4885CTSB 3329/4885CTSS 3296/4885

“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.