SCHEMBL775645

SCHEMBL775645

O=C(O)[C@H]1CSCN1C(=O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 10/20 0.42
GYS1 P13807 1/20 0.42
LMNA P02545 1/20 0.40
EIF4A3 P38919 2/20 0.37
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
PGR P06401 1/20 0.36
KDM1A O60341 1/20 0.36
SLC6A7 Q99884 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5614153 1.00 FFAR2 (0.42) FFAR2GYS1LMNAEIF4A3AVPR2
SCHEMBL774094 0.92 FFAR2 (0.46) FFAR2GYS1SLC6A7
SCHEMBL3200492 0.92 FFAR2 (0.46) FFAR2GYS1SLC6A7
SCHEMBL1417416 0.76 FFAR2 (0.38) FFAR2PGR
SCHEMBL774524 0.74 FFAR2 (0.47) FFAR2GYS1LMNA
SCHEMBL3223406 0.74 FFAR2 (0.47) FFAR2GYS1LMNA
SCHEMBL10340335 0.72 ACE (0.44) GYS1LMNA
SCHEMBL3750871 0.72 ACE (0.44) GYS1LMNA
SCHEMBL3207450 0.70 AGTR2 (0.48) FFAR2LMNA
SCHEMBL12965378 0.69 PPARG (0.37) FFAR2GYS1LMNA

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
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
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 424/4885LMNA 751/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 FFAR2 3711/4885GYS1 424/4885LMNA 751/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 FFAR2 3724/4885GYS1 464/4885LMNA 756/4885

“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.