SCHEMBL4095381

SCHEMBL4095381

Cc1ccc(S(=O)(=O)n2nc(N3CC4CC3CN4C(=O)OC(C)(C)C)c3ccc(F)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
GPR119 Q8TDV5 2/20 0.44
PTGDR2 Q9Y5Y4 8/20 0.43
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
PARP1 P09874 1/20 0.39
KMT2A Q03164 2/20 0.37
KRAS P01116 2/20 0.36
RET P07949 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL4084964 0.75 MAPK8 (0.40) HSD11B1GPR119PARP1RETHDAC1
SCHEMBL4099802 0.74 PARP1 (0.48) HSD11B1GPR119F13A1TGM2TGM1
SCHEMBL21426008 0.73 HSD11B1 (0.79) HSD11B1GPR119F13A1TGM2TGM1
SCHEMBL25899695 0.71 GPR119 (0.50) HSD11B1GPR119F13A1TGM2TGM1
SCHEMBL13118692 0.71 FAAH (0.48) HSD11B1GPR119F13A1TGM2TGM1
SCHEMBL22772747 0.71 FAAH (0.48) HSD11B1GPR119F13A1TGM2TGM1
SCHEMBL23043459 0.70 FAAH (0.52) HSD11B1GPR119F13A1TGM2TGM1
SCHEMBL24989562 0.70 FAAH (0.52) HSD11B1GPR119F13A1TGM2TGM1
SCHEMBL24330062 0.70 CNR1 (0.45) GPR119PTGDR2
SCHEMBL4089777 0.70 PLK1 (0.43) PARP1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US disclosed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 WO 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 HSD11B1 1378/4885GPR119 701/4885PTGDR2 1690/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 HSD11B1 1445/4885GPR119 527/4885PTGDR2 1405/4885

“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.