SCHEMBL6862115

SCHEMBL6862115

CC(=O)c1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 15/20 0.44
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8254212 0.96 NLRP3 (0.40) NLRP3ATMSMN1; SMN2ALDH1A1MEN1
SCHEMBL8255293 0.80 ALDH1A1 (0.45) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL29258065 0.80 NLRP3 (0.34) NLRP3ATMSMN1; SMN2ALDH1A1MEN1
SCHEMBL26938659 0.78 NLRP3 (0.37) NLRP3ATMSMN1; SMN2ALDH1A1MEN1
SCHEMBL15387881 0.77 ALDH1A1 (0.43) NLRP3ALDH1A1MEN1HPGDKMT2A
SCHEMBL11357024 0.76 NLRP3 (0.34) NLRP3ATMSMN1; SMN2ALDH1A1MEN1
SCHEMBL8253519 0.76 METAP2 (0.44) NLRP3ALDH1A1MEN1HPGDKMT2A
SCHEMBL6866811 0.75 NLRP3 (0.57) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL6873464 0.75 MAPT (0.36) NLRP3ATMSMN1; SMN2ALDH1A1MEN1
SCHEMBL6873466 0.75 MAPT (0.36) NLRP3ATMSMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO disclosed
EP-1270565-B1 4-Substituted furan-2-sulfonamide and its use in the preparation of sulfonyl urea derivatives PFIZER (US) 2004-06-30 EP disclosed
EP-0964849-B1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER (US) 2003-06-04 EP disclosed
EP-1270565-A1 4-Substituted furan-2-sulfonamide and its use in the preparation of sulfonyl urea derivatives PFIZER INC. (US) 2003-01-02 EP disclosed
EP-1270554-A1 Sulfonyl urea derivatives and their use in the control of interleukin-1 activity PFIZER INC. (US) 2003-01-02 EP disclosed
US-6433009-B1 TREATMENT OF AUTOIMMUNE, CARDIOVASCULAR, NERVOUS SYSTEM, GASTROINTESTINAL, RESPIRATORY SYSTEM, AND VIRAL DISORDERS; ANTIDIABETIC, ANTIARTHRITIC, ANTIINFLAMMATORY AND ANTIDEPRESSANT AGENTS PFIZER INC 2002-08-13 US disclosed
EP-1214087-A1 COMBINATION TREATMENT WITH IL-1RA AND COMPOUNDS THAT INHIBIT IL-1 PROCESSING AND RELEASE Pfizer Products Inc. (US) 2002-06-19 EP disclosed
WO-2001019390-A1 COMBINATION TREATMENT WITH IL-1RA AND DIARYL SULPHONYL UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-03-22 WO disclosed
US-6166064-A Sulfonyl urea derivatives and their use in the control of interleukin-1 activity PFIZER INC (US) 2000-12-26 US disclosed
EP-0964849-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER INC. (US) 1999-12-22 EP disclosed
WO-1998032733-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER INC. (US) 1998-07-30 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 NLRP3 639/4885ATM 4756/4885SMN1; SMN2 3639/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 NLRP3 639/4885ATM 4756/4885SMN1; SMN2 3639/4885

“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.