Sugi Predict

Sugi Predict / Compounds / SCHEMBL943786

SCHEMBL943786

SCHEMBL943786

COc1ccc(Cl)cc1C(=S)/N=c1\sc(Cl)cn1CC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ CNR2 P34972 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CASP1 P29466 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL943787 1.00 TSHR (0.39) TSHRCNR2ALDH1A1DRD2KDM4E
SCHEMBL944857 0.91 TSHR (0.39) TSHRCNR2ALDH1A1DRD2KDM4E
SCHEMBL944855 0.91 TSHR (0.39) TSHRCNR2ALDH1A1DRD2KDM4E
SCHEMBL943992 0.89 CNR2 (0.50) CNR2
SCHEMBL943993 0.89 CNR2 (0.50) CNR2
SCHEMBL943998 0.88 CNR2 (0.49) TSHRCNR2ALDH1A1DRD2KDM4E
SCHEMBL944000 0.88 CNR2 (0.49) TSHRCNR2ALDH1A1DRD2KDM4E
SCHEMBL945469 0.84 TSHR (0.39) TSHRALDH1A1DRD2KDM4ELMNA
SCHEMBL945468 0.84 TSHR (0.39) TSHRALDH1A1DRD2KDM4ELMNA
SCHEMBL944951 0.84 TSHR (0.37) TSHRCNR2ALDH1A1DRD2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 — — US disclosed
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 — — US disclosed
US-7875640-B2 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-25 — — US disclosed
US-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2008-10-02 — — 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 (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-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TRPV1 TSHR 217/4885CNR2 1/4885ALDH1A1 1513/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 TSHR 175/4885CNR2 2/4885ALDH1A1 1147/4885

“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.