SCHEMBL774524

SCHEMBL774524

O=C(O)[C@H]1CSCN1C(=O)c1ccc(Cl)c(C#Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 7/20 0.47
GYS1 P13807 1/20 0.37
GRM5 P41594 4/20 0.36
LMNA P02545 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
HTT P42858 1/20 0.34

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
SCHEMBL3223406 1.00 FFAR2 (0.47) FFAR2GYS1GRM5LMNAHAO1
SCHEMBL774094 0.78 FFAR2 (0.46) FFAR2GYS1
SCHEMBL3200492 0.78 FFAR2 (0.46) FFAR2GYS1
SCHEMBL10340335 0.75 ACE (0.44) GYS1LMNA
SCHEMBL3750871 0.75 ACE (0.44) GYS1LMNA
SCHEMBL5614153 0.74 FFAR2 (0.42) FFAR2GYS1LMNA
SCHEMBL775645 0.74 FFAR2 (0.42) FFAR2GYS1LMNA
SCHEMBL1921254 0.73 TSHR (0.52) HAO1
SCHEMBL3213542 0.70 NPC1 (0.53) GRM5HAO1
SCHEMBL3208864 0.67 GRM5 (0.53) GRM5HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US claimed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US claimed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US claimed
EP-1802606-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP claimed
WO-2006044975-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO claimed
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US disclosed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US disclosed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 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 (3 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-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 FFAR2 3711/4885GYS1 424/4885GRM5 3842/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 FFAR2 3711/4885GYS1 424/4885GRM5 3842/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 FFAR2 3724/4885GYS1 464/4885GRM5 4038/4885

“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.