SCHEMBL4079889

SCHEMBL4079889

CC1(C)C(C(=O)Nc2sc3c(c2C(=O)O)CCSC3)C1(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.66
PTPRA P18433 2/20 0.66
CNR2 P34972 2/20 0.51
PTPN2 P17706 4/20 0.43
PTPRC P08575 3/20 0.43
PTPRB P23467 2/20 0.43
PTPRE P23469 2/20 0.43
PTPN6 P29350 1/20 0.43
KIF11 P52732 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ABCC1 P33527 4/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL5449509 0.89 PTPN1 (0.51) PTPN1PTPRACNR2MEN1KMT2A
SCHEMBL21597540 0.84 PTPN1 (0.69) PTPN1PTPRACNR2PTPN2PTPRC
SCHEMBL4090889 0.83 MAPT (0.59) CNR2MEN1KMT2AGAA
SCHEMBL4091622 0.83 PTPN1 (0.63) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL4086799 0.83 PTPN1 (0.63) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL4080114 0.83 CNR2 (0.70) PTPN1PTPRACNR2KIF11MEN1
SCHEMBL22372483 0.80 PTPN1 (1.00) PTPN1PTPRACNR2PTPN2PTPRC
SCHEMBL4090461 0.80 CNR2 (0.70) PTPN1CNR2PTPN2PTPRCPTPRB
SCHEMBL4085763 0.79 CNR2 (0.43) PTPN1PTPRACNR2PTPN2PTPRC
SCHEMBL4080558 0.79 PTPN1 (0.67) PTPN1PTPRACNR2PTPN2PTPRC

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-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 US disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 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-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 PTPN1 2348/4885PTPRA 2018/4885CNR2 2/4885

“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.