SCHEMBL4086799

SCHEMBL4086799

CC1(C)C(C(=O)Nc2sc3c(c2C(=O)O)CCCC3)C1(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.63
PTPRC P08575 1/20 0.63
PTPN2 P17706 1/20 0.63
PTPRB P23467 1/20 0.63
PTPRE P23469 1/20 0.63
PTPN6 P29350 1/20 0.63
ABCC1 P33527 4/20 0.59
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
GAA P10253 1/20 0.57
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55
FLT3 P36888 1/20 0.54
TNF P01375 3/20 0.54
NOD1 Q9Y239 3/20 0.54
GRIN2C Q14957 1/20 0.54

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
SCHEMBL4091622 0.97 PTPN1 (0.63) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4094737 0.86 ATM (0.55) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4089695 0.85 ALDH1A1 (0.64) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4093212 0.84 KDM4E (0.54) MEN1KMT2AGAARAB9AMAPT
SCHEMBL4090439 0.83 CNR2 (0.50) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL4085782 0.83 CYP1A2 (0.71) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3914277 0.83 FLT3 (0.77) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4090461 0.83 CNR2 (0.70) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4079889 0.83 PTPN1 (0.66) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4084306 0.82 CNR1 (0.69) GAAMAPTALDH1A1KDM4EHSD17B10

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 2348/4885PTPRC 1716/4885PTPN2 2430/4885

“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.