SCHEMBL3786477

SCHEMBL3786477

CCSc1cc(Cl)cc(SCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.39
TSHR P16473 1/20 0.35
SLC6A4 P31645 5/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAOA P21397 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
PTGS2 P35354 2/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TLR8 Q9NR97 1/20 0.30
EPHX2 P34913 1/20 0.30
GRM5 P41594 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL1043789 0.95 SOD1 (0.44) SOD1TSHRSLC6A4MAPK1ALDH1A1
SCHEMBL17703530 0.86 SOD1 (0.35) SOD1MAPK1ALDH1A1HPGDNPC1
SCHEMBL2866808 0.86 SLC6A4 (0.39) SLC6A4ALDH1A1MAOAPTGS2EPHX2
SCHEMBL16248226 0.84 SOD1 (0.34) SOD1SLC6A4MAOAPOLB
SCHEMBL3792826 0.84 CYP3A4 (0.48) SOD1SLC6A4MAPK1ALDH1A1HPGD
SCHEMBL17485227 0.81 PTGS2 (0.35) SOD1SLC6A4MAOAPTGS2
SCHEMBL29993511 0.78 GRM5 (0.47) SLC6A4MAPK1MAOAPTGS2POLB
SCHEMBL711648 0.78 GRM5 (0.47) SLC6A4MAPK1MAOAPTGS2POLB
SCHEMBL31087244 0.77 MAPT (0.50) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13755149 0.75 NPC1 (0.32) SLC6A4MAPK1ALDH1A1HPGDMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 SOD1 1502/4885TSHR 1688/4885SLC6A4 3330/4885

“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.