SCHEMBL2883389

SCHEMBL2883389

Cc1ccc(NCCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.56
CYP3A4 P08684 2/20 0.55
RXRA P19793 1/20 0.55
FFAR1 O14842 6/20 0.52
PPARA Q07869 2/20 0.52
MPC2 O95563 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL3117517 0.84 PPARG (0.62) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL5883336 0.83 PPARG (0.52) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL8792201 0.83 PPARG (0.80) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL3900454 0.81 FFAR1 (0.62) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL1848812 0.80 PPARG (0.60) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL10851738 0.80 PPARG (0.81) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL68421 0.79 PPARG (0.56) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL13524842 0.79 PPARG (0.73) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL9570670 0.77 FFAR1 (0.71) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL14188614 0.76 PPARG (0.67) PPARGCYP3A4RXRAFFAR1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010513276-A 2010-04-30 JP claimed
US-20100098641-A1 Monophosphates as Mutual Prodrugs of Anti-Inflammatory Signal Transduction Modulators (AISTM's) and Beta-Agonists for the Treatment of Pulmonary Inflammation and Bronchoconstriction GILEAD SCIENCES, INC. 2010-04-22 US claimed
EP-2125841-A1 MONOPHOSPHATES AS MUTUAL PRODRUGS OF ANTI-INFLAMMATORY SIGNAL TRANSDUCTION MODULATORS (AISTM'S) AND BETA-AGONISTS FOR THE TREATMENT OF PULMONARY INFLAMMATION AND BRONCHOCONSTRICTION Gilead Sciences, Inc. (US) 2009-12-02 EP claimed
WO-2008076265-A1 MONOPHOSPHATES AS MUTUAL PRODRUGS OF ANTI-INFLAMMATORY SIGNAL TRANSDUCTION MODULATORS (AISTM'S) AND β-AGONISTS FOR THE TREATMENT OF PULMONARY INFLAMMATION AND BRONCHOCONSTRICTION GILEAD SCIENCES, INC. (US) 2008-06-26 WO claimed

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-20100098641-A1 Monophosphates as Mutual Prodrugs of Anti-Inflammatory Signal Transduction Modulators (AISTM's) and Beta-Agonists for the Treatment of Pulmonary Inflammation and Bronchoconstriction ADRB1, ADRB2, PDE11A PPARG 815/4885CYP3A4 1211/4885RXRA 3446/4885

“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.