SCHEMBL12848817

SCHEMBL12848817

COc1ccc(-c2ccc3c(c2)-c2sc(C(=O)Nc4c(F)cccc4F)nc2CCC3)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.40
NR4A2 P43354 6/20 0.40
GCK P35557 1/20 0.39
PIK3CG P48736 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLQ O75417 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
JAK1 P23458 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL12848535 0.90 DHODH (0.51) DHODHNR4A2ALDH1A1MAPTTHRB
SCHEMBL14222752 0.89 HDAC4 (0.38) DHODHNR4A2MAPT
SCHEMBL12848541 0.89 MAPT (0.35) DHODHNR4A2MEN1KMT2AALDH1A1
SCHEMBL12848534 0.88 MAPT (0.34) DHODHNR4A2MEN1KMT2AALDH1A1
SCHEMBL12848538 0.87 ABL1 (0.37) DHODHMAPT
SCHEMBL12848869 0.86 STIM1 (0.41) DHODHNR4A2
SCHEMBL14172512 0.85 MAPT (0.48) DHODHNR4A2MEN1KMT2AALDH1A1
SCHEMBL12848715 0.84 ABCB1 (0.40) PIK3CGHDAC6
SCHEMBL12848819 0.84 MAPT (0.35) DHODHNR4A2ALDH1A1MAPT
SCHEMBL12848821 0.84 DHODH (0.36) DHODHNR4A2HDAC3HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 WO disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 US disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 US disclosed
WO-2008039520-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-04-03 WO 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-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NOD2, RORC, NLRP3 DHODH 1008/4885NR4A2 533/4885GCK 726/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 DHODH 1141/4885NR4A2 685/4885GCK 1648/4885

“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.