SCHEMBL1066852

SCHEMBL1066852

Cc1c(C(=O)O)sc2ccc(N)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.58
TBXAS1 P24557 3/20 0.49
RXFP1 Q9HBX9 3/20 0.47
PKM P14618 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PRNP P04156 1/20 0.44
MCL1 Q07820 4/20 0.43
BCL2L1 Q07817 1/20 0.43
BCKDK O14874 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.38
CLK1 P49759 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL2895952 0.83 GPR35 (0.62) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL16396342 0.81 GPR35 (0.45) GPR35RXFP1PKMMCL1BCL2L1
SCHEMBL9757077 0.81 GPR35 (0.65) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL3488612 0.80 ALDH1A1 (0.51) NPSR1SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL2893771 0.80 GPR35 (0.58) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL122587 0.80 GPR35 (0.58) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL2896475 0.80 GPR35 (0.58) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL3484085 0.79 GPR35 (0.57) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL9613211 0.78 TBXAS1 (0.60) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL6840354 0.78 GPR35 (0.55) GPR35TBXAS1RXFP1PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180339985-A1 PDD COMPOUNDS FEMTOGENIX LIMITED (GB) 2018-11-29 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 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 (5 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 GPR35 4487/4885TBXAS1 3655/4885RXFP1 4259/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 GPR35 4487/4885TBXAS1 3655/4885RXFP1 4259/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 GPR35 4487/4885TBXAS1 3655/4885RXFP1 4259/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 GPR35 4487/4885TBXAS1 3655/4885RXFP1 4259/4885
US-20180339985-A1 PDD COMPOUNDS DRD1, DRD3, DRD2 GPR35 2177/4885TBXAS1 1270/4885RXFP1 383/4885

“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.