SCHEMBL14668342

SCHEMBL14668342

O=C(CCI)c1cc2sccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.59
GAA P10253 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
POLB P06746 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
GLA P06280 1/20 0.46
TLK2 Q86UE8 1/20 0.40
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL12074964 0.90 GPR35 (0.67) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL23509888 0.83 GPR35 (0.59) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL23510106 0.81 GPR35 (0.56) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL12617662 0.79 GPR35 (0.62) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL1990998 0.79 GPR35 (0.62) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL6526414 0.78 GPR35 (0.53) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL14668343 0.77 STING1 (0.36) GPR35GAAALDH1A1STING1ACHE
SCHEMBL335232 0.74 GPR35 (1.00) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL8346793 0.73 GPR35 (0.69) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL7951501 0.73 GPR35 (0.69) GPR35GAAALDH1A1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-8362068-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-01-29 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-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 GPR35 2297/4885GAA 395/4885ALDH1A1 171/4885

“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.