SCHEMBL5845949

SCHEMBL5845949

CCC(C)OC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
PLA2G2A P14555 1/20 0.42
PLA2G5 P39877 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TP53 P04637 1/20 0.39
TYR P14679 1/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12360942 1.00 NPSR1 (0.45) NPSR1SMN1; SMN2PLA2G2APLA2G5ALDH1A1
SCHEMBL903601 0.80 NPSR1 (0.42) NPSR1SMN1; SMN2PLA2G2APLA2G5ALDH1A1
SCHEMBL1729385 0.80 NPSR1 (0.42) NPSR1SMN1; SMN2PLA2G2APLA2G5ALDH1A1
SCHEMBL5552041 0.80 NPSR1 (0.42) NPSR1SMN1; SMN2PLA2G2APLA2G5ALDH1A1
SCHEMBL21676282 0.78 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1CTSKLMNA
SCHEMBL6858 0.77 NPSR1 (0.47) NPSR1SMN1; SMN2PLA2G2APLA2G5ALDH1A1
SCHEMBL1952824 0.77 NPSR1 (0.47) NPSR1SMN1; SMN2PLA2G2APLA2G5ALDH1A1
SCHEMBL193208 0.77 NPSR1 (0.47) NPSR1SMN1; SMN2PLA2G2APLA2G5ALDH1A1
SCHEMBL29001182 0.76 MMP1 (0.45) SMN1; SMN2ALDH1A1CTSKGAA
SCHEMBL4994 0.76 SMN1; SMN2 (0.44) NPSR1SMN1; SMN2PLA2G2APLA2G5ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453531-A Insecticides, fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 US claimed
EP-0472996-B1 Substituted valinamide derivatives BAYER AG (DE) 1995-02-01 EP claimed
EP-0550788-A1 Substituted valinamide derivatives BAYER AG (DE) 1993-07-14 EP claimed
EP-0472996-A1 Substituted valinamide derivatives BAYER AG (DE) 1992-03-04 EP claimed
US-7105569-B2 Mixture of active materials; applying to fungi, or environment BAYER AKTIENGESELLSACHFT (DE) 2006-09-12 US disclosed
EP-1150568-B1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2004-09-22 EP disclosed
US-6495575-B2 SYNERGISTIC MIXTURES OF A VALINAMIDE DERIVATIVE AND ANOTHER FUNGICIDE, E.G. DICHLOFLUANID, TOLYLFLUANID, CHLOROTHALONIL AND MANY OTHERS; PHYTOPATHOGENIC FUNGI; NONPHYTOTOXIC; EFFECTIVE AT LOW CONCENTRATIONS BAYER AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
US-20020173542-A1 Fungicidal active compound combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-11-21 US disclosed
US-6444693-B1 SYNERGISTIC MIXTURES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
EP-1150568-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer Aktiengesellschaft (DE) 2001-11-07 EP disclosed
US-20010006964-A1 Fungicidal active compound combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2001-07-05 US disclosed
US-6245772-B1 MIXTURE; CONTAINING VALINAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
EP-0610764-B1 Fungicidal mixture BAYER AG (DE) 1999-05-12 EP disclosed
US-5776976-A Fungicidal active compound combinations BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5650423-A Fungicidal active compound combinations BAYER AKTIENGESELLSCHAFT (DE) 1997-07-22 US disclosed
US-5453531-A Insecticides, fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 US disclosed
EP-0472996-B1 Substituted valinamide derivatives BAYER AG (DE) 1995-02-01 EP disclosed
EP-0610764-A1 Fungicidal mixture BAYER AG (DE) 1994-08-17 EP disclosed
EP-0550788-A1 Substituted valinamide derivatives BAYER AG (DE) 1993-07-14 EP disclosed
EP-0472996-A1 Substituted valinamide derivatives BAYER AG (DE) 1992-03-04 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 (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-20010006964-A1 Fungicidal active compound combinations VAT1, CASP1, CACNA1E NPSR1 2670/4885SMN1; SMN2 2167/4885PLA2G2A 4648/4885
US-20020173542-A1 Fungicidal active compound combinations VAT1, CASP1, CACNA1E NPSR1 2670/4885SMN1; SMN2 2167/4885PLA2G2A 4648/4885

“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.