SCHEMBL5226645

SCHEMBL5226645

COc1ccc2c(c1)CC(Cc1cc(C)ccc1S(=O)(=O)O)CO2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.53
TP53 P04637 5/20 0.45
LMNA P02545 4/20 0.45
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
ALOX5 P09917 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK2 O75116 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
SCHEMBL7199693 0.81 MTNR1A (0.50) MTNR1ATP53LMNAPOLBMAPT
SCHEMBL17797569 0.77 LMNA (0.34) LMNAPOLBMAPT
SCHEMBL5725028 0.74 ALDH1A1 (0.33) LMNAPOLBMAPT
SCHEMBL5228137 0.74 MTNR1A (0.67) MTNR1ATP53LMNAPOLBMAPT
SCHEMBL17888019 0.73 MTNR1A (0.64) MTNR1ATP53LMNAPOLBMAPT
SCHEMBL5227854 0.72 MTNR1A (0.63) MTNR1ATP53LMNAPOLBMAPT
SCHEMBL7297144 0.71 MTNR1A (0.63) MTNR1ATP53LMNAPOLBMAPT
SCHEMBL963645 0.71 CYP2D6 (0.33) TP53LMNAPOLBMAPTSMN1; SMN2
SCHEMBL963642 0.71 CYP2D6 (0.33) TP53LMNAPOLBMAPTSMN1; SMN2
SCHEMBL28341748 0.71 PRKAB2 (0.35) TP53MAPTSMN1; SMN2

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-0998471-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-03-14 EP disclosed
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 MTNR1A 1/4885TP53 4723/4885LMNA 3117/4885

“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.