SCHEMBL943785

SCHEMBL943785

CCOc1ccc(C#N)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
HSD17B10 Q99714 1/20 0.51
TRPV4 Q9HBA0 1/20 0.51
RXFP1 Q9HBX9 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
GAA P10253 1/20 0.44
SLC6A9 P48067 1/20 0.44
TRPM4 Q8TD43 1/20 0.43
XDH P47989 1/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43

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
SCHEMBL9850686 0.88 ALDH1A1 (0.49) KMT2AMRGPRX4PTGDR2SLC6A9
SCHEMBL1546549 0.88 TRPV4 (0.55) TSHRHSD17B10TRPV4RXFP1LMNA
SCHEMBL4602889 0.85 XDH (0.58) RXFP1KMT2APTGDR2GAAXDH
SCHEMBL945318 0.85 HTT (0.52) TRPV4RXFP1KMT2ALMNAMRGPRX4
SCHEMBL16953433 0.84 TRPV4 (0.50) TSHRHSD17B10TRPV4RXFP1KMT2A
SCHEMBL945054 0.84 ALB (0.45) KMT2AMRGPRX4PTGDR2TRPM4
SCHEMBL1809795 0.84 XDH (0.57) MRGPRX4SLC6A9XDH
SCHEMBL546183 0.82 AR (0.50) HSD17B10KMT2AMRGPRX4POLB
Hydrochloric Acid SCHEMBL10984138 0.81 AR (0.49) HSD17B10KMT2AMRGPRX4POLB
SCHEMBL1647357 0.81 FOLH1 (0.62) MRGPRX4PTGDR2SLC6A9XDHPOLB

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 6 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
EP-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 EP disclosed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 WO 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 217/4885HSD17B10 3482/4885TRPV4 128/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 TSHR 175/4885HSD17B10 2094/4885TRPV4 191/4885

“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.