SCHEMBL5711380

SCHEMBL5711380

COCC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 1/20 0.50
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SDCBP O00560 3/20 0.43
SDC2 P34741 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
EPHX2 P34913 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL15045430 0.84 TSHR (0.43) MBTPS1TSHRALDH1A1NPSR1SMN1; SMN2
SCHEMBL21509919 0.84 TSHR (0.43) MBTPS1TSHRALDH1A1NPSR1SMN1; SMN2
SCHEMBL23135886 0.84 CA12 (0.47) TSHRALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL25646519 0.84 TSHR (0.43) MBTPS1TSHRALDH1A1NPSR1SMN1; SMN2
SCHEMBL6443618 0.84 MBTPS1 (0.45) MBTPS1ALDH1A1NPSR1SDCBPSDC2
SCHEMBL6447897 0.84 MBTPS1 (0.45) MBTPS1ALDH1A1NPSR1SDCBPSDC2
SCHEMBL17996009 0.83 ALDH1A1 (0.56) TSHRALDH1A1MAPK1
SCHEMBL10881354 0.79 TSHR (0.40) TSHRALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL1517236 0.79 MBTPS1 (0.47) MBTPS1ALDH1A1NPSR1SDCBPSDC2
SCHEMBL1517295 0.79 MBTPS1 (0.47) MBTPS1ALDH1A1NPSR1SDCBPSDC2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839665-B2 Aminostatin derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2017-12-12 US disclosed
US-20160228493-A1 AMINOSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-9345742-B2 Aminostatin derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2016-05-24 US disclosed
EP-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP 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-20160228493-A1 AMINOSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS CTSD, CTSB, CTSZ MBTPS1 2816/4885TSHR 3626/4885ALDH1A1 2943/4885

“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.