SCHEMBL1109985

SCHEMBL1109985

CCCCC#CS([O])(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.36
TSHR P16473 1/20 0.36
PTPN7 P35236 5/20 0.34
RECQL P46063 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALOX12 P18054 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL6728245 0.84
SCHEMBL4541833 0.82 HMGCR (0.38) HMGCRTSHRPTPN7RECQLTDP1
SCHEMBL11309747 0.82 HMGCR (0.38) HMGCRTSHRPTPN7RECQLTDP1
SCHEMBL1109987 0.78 HMGCR (0.39) HMGCRTSHRPTPN7RECQLTDP1
SCHEMBL11317893 0.75 PTPN7 (0.43) HMGCRTSHRPTPN7RECQLTDP1
SCHEMBL55033 0.71 TSHR (0.53) HMGCRTSHRPTPN7RECQLTDP1
SCHEMBL22036827 0.70 PTPN7 (0.39) HMGCRTSHRPTPN7RECQLTDP1
SCHEMBL18141348 0.70 PTPN7 (0.48) HMGCRPTPN7RECQLTDP1ALDH1A1
SCHEMBL18139924 0.70 PTPN7 (0.48) HMGCRPTPN7RECQLTDP1ALDH1A1
SCHEMBL18140754 0.70 PTPN7 (0.48) HMGCRPTPN7RECQLTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280009-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 HMGCR 1622/4885TSHR 1506/4885PTPN7 2614/4885

“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.