SCHEMBL966068

SCHEMBL966068

CCCCNC(=O)NS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2cc(Cl)c(OC)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.38
TP53 P04637 2/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
PHGDH O43175 3/20 0.34
POLB P06746 1/20 0.34
FBP1 P09467 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALB P02768 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TBXA2R P21731 2/20 0.32
TLR7 Q9NYK1 1/20 0.31
MAPT P10636 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL5112090 0.88 PHGDH (0.40) SHMT2TP53MTNR1AMTNR1BPHGDH
SCHEMBL965064 0.87 TP53 (0.41) TP53MTNR1AMTNR1B
SCHEMBL963019 0.87 TP53 (0.37) TP53POLBFBP1LMNAALDH1A1
SCHEMBL964880 0.87 TP53 (0.37) TP53POLBFBP1LMNAALDH1A1
SCHEMBL961699 0.83 CYP2C9 (0.34) TP53FBP1LMNAALDH1A1ALB
SCHEMBL966058 0.82 TP53 (0.38) TP53POLBLMNAALDH1A1TSHR
SCHEMBL4554288 0.82 TP53 (0.38) TP53POLBLMNAALDH1A1TSHR
SCHEMBL963219 0.81 MAPT (0.35) TP53FBP1LMNAALDH1A1ALB
SCHEMBL964870 0.81 PPARG (0.38) TP53POLB
SCHEMBL963316 0.81 PHGDH (0.34) SHMT2PHGDHLMNATSHRMAPT

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
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO 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 SHMT2 268/4885TP53 2149/4885MTNR1A 310/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG SHMT2 1516/4885TP53 1057/4885MTNR1A 69/4885

“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.