SCHEMBL4169157

SCHEMBL4169157

CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
ESR2 Q92731 1/20 0.46
MMP8 P22894 1/20 0.46
KLK5 Q9Y337 1/20 0.45
CA1 P00915 2/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KLK7 P49862 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
BACE1 P56817 2/20 0.42
P2RX7 Q99572 5/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41

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
SCHEMBL4930098 0.95 CTSL (0.47) CTSLCTSBCTSKESR2MMP8
SCHEMBL3007646 0.90 KDM1A (0.49) ESR2MMP8P2RX7
SCHEMBL3007640 0.90 KDM1A (0.49) ESR2MMP8P2RX7
Iodide SCHEMBL4930438 0.88 CTSL (0.42) CTSLCTSBCTSKMMP8KLK5
Iodide SCHEMBL4639203 0.84 TMEM97 (0.44) CTSLCTSKESR2MMP8CA1
SCHEMBL2181843 0.84 ESR2 (0.58) ESR2TMEM97SIGMAR1
SCHEMBL4929374 0.82 CTSL (0.43) CTSLCTSBCTSKKLK5CA1
SCHEMBL17797697 0.80 TMEM97 (0.55) ESR2TMEM97SIGMAR1
SCHEMBL5285674 0.79 CTSL (0.47) CTSLCTSBCTSKKLK5CA1
SCHEMBL3664494 0.79 KDM1A (0.55) CTSBCTSKHDAC8

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-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 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-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors TFPI, SERPINC1, SERPINE1 CTSL 408/4885CTSB 363/4885CTSK 186/4885

“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.