SCHEMBL4354514

SCHEMBL4354514

CCc1ccc2c(c1)C1(NN=C(c3ccc(F)cc3)S1)C(=O)N2

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 18/20 0.81
SMN1; SMN2 Q16637 4/20 0.81
HPGD P15428 3/20 0.81
ALDH1A1 P00352 3/20 0.81
LMNA P02545 3/20 0.81
MAPT P10636 3/20 0.81
HTT P42858 3/20 0.81
TDP1 Q9NUW8 3/20 0.81
L3MBTL1 Q9Y468 3/20 0.81
KDM4E B2RXH2 2/20 0.81
TP53 P04637 2/20 0.81
MEN1 O00255 3/20 0.79
KMT2A Q03164 3/20 0.79
MAPK1 P28482 2/20 0.79
MMP12 P39900 1/20 0.55
SLC27A2 O14975 1/20 0.54
XBP1 P17861 1/20 0.54
MDM2 Q00987 1/20 0.54

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
SCHEMBL4345668 0.90 ADAMTS5 (1.00) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL4356626 0.88 ADAMTS5 (1.00) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL22571291 0.87 ADAMTS5 (0.81) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL4347482 0.87 ADAMTS5 (1.00) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL4983114 0.87 ADAMTS5 (0.78) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL24571266 0.82 ADAMTS5 (0.73) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL22571237 0.82 ADAMTS5 (0.81) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL22571253 0.82 ADAMTS5 (0.68) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL22571283 0.81 ADAMTS5 (0.78) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL22571243 0.81 ADAMTS5 (0.85) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032584-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Wyeth (US) 2009-03-11 EP claimed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 US claimed
WO-2007146138-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF WYETH (US) 2007-12-21 WO claimed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 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-20080125469-A1 Thiadiazole compounds and methods of use thereof ADAMTS5, ADAMTS1, TIMP3 ADAMTS5 1/4885SMN1; SMN2 876/4885HPGD 86/4885

“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.