SCHEMBL7199693

SCHEMBL7199693

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
CA2 P00918 1/20 0.46
FFAR1 O14842 3/20 0.46
ALOX5 P09917 5/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 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
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL7286936 0.85 LMNA (0.50) MTNR1ACA2GAASMN1; SMN2LMNA
SCHEMBL5226645 0.81 MTNR1A (0.53) MTNR1AALOX5MAPTCYP3A4CYP2C9
SCHEMBL1883517 0.81 CA2 (0.43) CA2FFAR1ALOX5MAPTCYP3A4
SCHEMBL9869360 0.80 CA2 (0.42) CA2MAPTGAASMN1; SMN2POLB
SCHEMBL5845948 0.80 ADRA1D (0.44) GAASMN1; SMN2
SCHEMBL5845943 0.80 ADRA1D (0.44) GAASMN1; SMN2
SCHEMBL537494 0.75 KMT2A (0.38) CA2GAAPOLBLMNAALDH1A1
SCHEMBL909752 0.75 KMT2A (0.38) CA2GAAPOLBLMNAALDH1A1
SCHEMBL909187 0.75 KMT2A (0.38) CA2GAAPOLBLMNAALDH1A1
SCHEMBL6107714 0.74 HTR1A (0.39) CA2POLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885CA2 1662/4885FFAR1 612/4885

“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.