SCHEMBL964453

SCHEMBL964453

Cc1nn(C)c(-n2ccc3cccnc32)c1CCS(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
BRAF P15056 5/20 0.36
CYP2C19 P33261 1/20 0.35
SLC22A12 Q96S37 2/20 0.35
PARP1 P09874 1/20 0.34
MTNR1A P48039 1/20 0.34
ENPP3 O14638 1/20 0.34
PKM P14618 1/20 0.33
ENPP1 P22413 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
GALR3 O60755 1/20 0.31
LMNA P02545 1/20 0.31
NR2F2 P24468 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 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
SCHEMBL5119217 0.85 ENPP3 (0.39) L3MBTL1CDC7CDK2RAPGEF4BRAF
SCHEMBL962471 0.84 CA1 (0.31)
SCHEMBL27793952 0.83 RXFP1 (0.37) L3MBTL1BRAFMTNR1AALDH1A1
SCHEMBL962959 0.82 HPGD (0.32) LMNAHTT
SCHEMBL963933 0.81 NPC1 (0.42) CDC7CDK2SLC22A12PARP1MTNR1A
SCHEMBL962680 0.80 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1HTT
SCHEMBL962512 0.79 PKMYT1 (0.30)
SCHEMBL966046 0.79 TSHR (0.33) L3MBTL1RAPGEF4BRAFCYP2C19SLC22A12
SCHEMBL967854 0.79 ENPP3 (0.35) BRAFSLC22A12MTNR1AENPP3ENPP1
SCHEMBL966425 0.78 MTNR1A (0.37) BRAFMTNR1AENPP3ENPP1SMN1; SMN2

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 L3MBTL1 2943/4885CDC7 2245/4885CDK2 2555/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG L3MBTL1 3858/4885CDC7 4163/4885CDK2 2985/4885

“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.