SCHEMBL4575359

SCHEMBL4575359

CCC[C@H](S)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.46
LMNA P02545 1/20 0.43
HRH1 P35367 6/20 0.40
HTR2A P28223 5/20 0.40
SIGMAR1 Q99720 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL3919544 1.00 AOC3 (0.46) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL2561336 0.86 POLB (0.45) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL7839156 0.86 AOC3 (0.40) AOC3LMNAHRH1HTR2ATAAR1
SCHEMBL8443421 0.85 HRH1 (0.46) HRH1HTR2ATAAR1
SCHEMBL15105467 0.85 SIGMAR1 (0.44) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL11103930 0.83 HTR2A (0.45) HTR2ASIGMAR1
SCHEMBL11103470 0.83 HTR2A (0.45) HTR2ASIGMAR1
SCHEMBL11782470 0.83 HTR2A (0.45) HTR2ASIGMAR1
SCHEMBL329081 0.83 HTR2A (0.45) HTR2ASIGMAR1
SCHEMBL15105361 0.83 HTR2A (0.45) HTR2ASIGMAR1

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-8288569-B2 Carbonyl asymmetric alkylation SANDOZ AG (CH) 2012-10-16 US disclosed
US-8288569-B2 Carbonyl asymmetric alkylation SANDOZ AG (CH) 2012-10-16 US disclosed
EP-1966127-B1 CARBONYL ASYMMETRIC ALKYLATION SANDOZ AG (CH) 2011-04-06 EP disclosed
US-20110009648-A1 Carbonyl Asymmetric Alkylation SANDOZ AG (CH) 2011-01-13 US disclosed
US-20110009648-A1 Carbonyl Asymmetric Alkylation SANDOZ AG (CH) 2011-01-13 US disclosed
EP-1966127-A1 CARBONYL ASYMMETRIC ALKYLATION Sandoz AG (CH) 2008-09-10 EP disclosed
WO-2007082771-A1 CARBONYL ASYMMETRIC ALKYLATION SANDOZ AG (CH) 2007-07-26 WO disclosed
WO-2007082771-A1 CARBONYL ASYMMETRIC ALKYLATION SANDOZ AG (CH) 2007-07-26 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-20110009648-A1 Carbonyl Asymmetric Alkylation COASY, ADH5, SI AOC3 345/4885LMNA 1282/4885HRH1 1370/4885

“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.