SCHEMBL4354282

SCHEMBL4354282

O=C1Nc2ccc(OC(F)(F)F)cc2C12NN=C(c1ccccc1)S2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 17/20 1.00
SLC27A2 O14975 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HPGD P15428 3/20 0.64
MAPK1 P28482 2/20 0.64
MAPT P10636 3/20 0.61
HTT P42858 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
XBP1 P17861 1/20 0.61
MDM2 Q00987 1/20 0.61
KDM4E B2RXH2 2/20 0.52
TP53 P04637 2/20 0.52
MMP12 P39900 1/20 0.47

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
SCHEMBL4985793 0.85 ADAMTS5 (0.77) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL24571119 0.81 ADAMTS5 (0.74) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4201238 0.79 ADAMTS5 (1.00) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4982831 0.79 ADAMTS5 (0.70) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4355848 0.79 ADAMTS5 (1.00) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL24571274 0.79 ADAMTS5 (0.74) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4356626 0.78 ADAMTS5 (1.00) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4980986 0.78 ADAMTS5 (0.84) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4352205 0.74 ADAMTS5 (1.00) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL24571271 0.74 ADAMTS5 (0.87) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA

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
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
EP-2032584-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Wyeth (US) 2009-03-11 EP disclosed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 US disclosed
WO-2007146138-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF WYETH (US) 2007-12-21 WO 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 1/4885SLC27A2 4766/4885SMN1; SMN2 876/4885

“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.