SCHEMBL966058

SCHEMBL966058

CCCNC(=O)NS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.33

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
SCHEMBL963019 0.95 TP53 (0.37) TP53CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL4554288 0.93 TP53 (0.38) TP53CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL5115435 0.89 KMO (0.38) TP53CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL964880 0.88 TP53 (0.37) TP53CYP2C19ALDH1A1LMNATSHR
SCHEMBL963617 0.88 FBP1 (0.39) TP53POLBRAB9ANPC1KMT2A
SCHEMBL4554438 0.86 MAPK8 (0.35) TP53CYP2C19ALDH1A1LMNACYP3A4
SCHEMBL4553762 0.84 AGTR2 (0.37) PPARGMCL1
SCHEMBL963812 0.84 TP53 (0.37) TP53POLBRAB9ANPC1KMT2A
SCHEMBL963042 0.84 TP53 (0.40) TP53POLBCNR1CNR2PPARG
SCHEMBL964870 0.84 PPARG (0.38) TP53POLBCNR1CNR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 TP53 2149/4885CYP2C19 660/4885ALDH1A1 421/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TP53 1057/4885CYP2C19 1025/4885ALDH1A1 821/4885

“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.