SCHEMBL4554288

SCHEMBL4554288

CCCNC(=O)NS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 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
RAB9A P51151 3/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34

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
SCHEMBL964880 0.95 TP53 (0.37) TP53CYP2C19ALDH1A1LMNATSHR
SCHEMBL966058 0.93 TP53 (0.38) TP53CYP2C19ALDH1A1THRBLMNA
SCHEMBL963812 0.91 TP53 (0.37) TP53RAB9APOLBMCL1KMT2A
SCHEMBL963042 0.91 TP53 (0.40) TP53POLBMCL1CNR1CNR2
SCHEMBL964870 0.91 PPARG (0.38) TP53POLBMCL1CNR1CNR2
SCHEMBL963610 0.89 IRAK4 (0.35) TP53LMNASMN1; SMN2RAB9APOLB
SCHEMBL964859 0.89 IRAK4 (0.35) TP53RAB9AMCL1KMT2ANPC1
SCHEMBL968367 0.89 TP53 (0.35) TP53RAB9APOLBMCL1KMT2A
SCHEMBL4570493 0.89 PHGDH (0.36) TP53RAB9AMCL1KMT2ANPC1
SCHEMBL963019 0.88 TP53 (0.37) TP53CYP2C19ALDH1A1THRBLMNA

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
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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 TP53 2149/4885CYP2C19 660/4885ALDH1A1 421/4885

“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.