SCHEMBL12848535

SCHEMBL12848535

COc1cc(-c2ccc3c(c2)-c2sc(C(=O)Nc4c(F)cccc4F)nc2CCC3)ccn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.51
NR4A2 P43354 5/20 0.51
FFAR1 O14842 1/20 0.37
NLRP3 Q96P20 1/20 0.37
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
BCL2L2 Q92843 1/20 0.35
AKT1 P31749 1/20 0.35
WNT3A P56704 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ELOVL1 Q9BW60 1/20 0.34
GPR142 Q7Z601 1/20 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
SCHEMBL12848817 0.90 DHODH (0.40) DHODHNR4A2ALDH1A1MAPTTHRB
SCHEMBL12848533 0.89 BCL2L1 (0.37) DHODHNR4A2ALDH1A1MAPTBCL2
SCHEMBL12848710 0.87 MAPT (0.35) DHODHNR4A2ALDH1A1MAPTBCL2
SCHEMBL12848821 0.86 DHODH (0.36) DHODHNR4A2ALDH1A1MAPTTHRB
SCHEMBL14172512 0.85 MAPT (0.48) DHODHNR4A2ALDH1A1MAPTTHRB
SCHEMBL14222733 0.84 MAPT (0.39) DHODHNR4A2ALDH1A1MAPT
SCHEMBL14222752 0.84 HDAC4 (0.38) DHODHNR4A2MAPT
SCHEMBL12848541 0.84 MAPT (0.35) DHODHNR4A2ALDH1A1MAPTBCL2
SCHEMBL12848534 0.83 MAPT (0.34) DHODHNR4A2ALDH1A1MAPTTHRB
SCHEMBL12848818 0.83 DHODH (0.36) DHODHNR4A2ALDH1A1MAPT

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 533/4885FFAR1 451/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 DHODH 1141/4885NR4A2 685/4885FFAR1 1179/4885

“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.