SCHEMBL20656174

SCHEMBL20656174

OCc1c(-c2cc3sccc3s2)sc2c(CO)c(-c3cc4sccc4s3)sc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.39
GAA P10253 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
POLB P06746 1/20 0.33
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL20656179 0.83 GPR35 (0.35) GPR35
SCHEMBL845679 0.73 GPR35 (0.50) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL20656013 0.72 GPR35 (0.41) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL20656172 0.72 DPP4 (0.49) GAAALDH1A1HDAC1POLBGLA
SCHEMBL20656010 0.71 GPR35 (0.40) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL31319959 0.69 GPR35 (0.40) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL20656011 0.69 GPR35 (0.38) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL5039924 0.69 CYP2A6 (0.48) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL20656181 0.68 CYP2A6 (0.33)
SCHEMBL23278526 0.65 GPR35 (0.32) GPR35GAAHDAC3HDAC4HDAC1

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-20200165266-A1 RING CLOSURE REACTION FLEXENABLE LIMITED (GB) 2020-05-28 US disclosed
WO-2019011826-A1 RING CLOSURE REACTION MERCK PATENT GMBH (DE) 2019-01-17 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 (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-20200165266-A1 RING CLOSURE REACTION LIG4, ATG7, RNF4 GPR35 3829/4885GAA 2936/4885ALDH1A1 3947/4885

“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.