Sugi Predict

Sugi Predict / Compounds / SCHEMBL2978692

SCHEMBL2978692

SCHEMBL2978692

CCCC[Sn](C=Cc1cccnc1)(CCCC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ CHRNB2 P17787 2/20 0.44
▸ CHRNA4 P43681 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TBXAS1 P24557 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ JUN P05412 1/20 0.42

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
SCHEMBL3390930 1.00 CYP11B1 (0.47) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL3388696 1.00 CYP11B1 (0.47) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL702727 0.80 EGFR (0.41) NPC1TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6965007 0.80 EGFR (0.41) NPC1TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL702726 0.80 EGFR (0.41) NPC1TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL7520275 0.76 CHRNB2 (0.64) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL6966605 0.76 CHRNB2 (0.64) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL2302782 0.76 CHRNB2 (0.64) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL10981660 0.73 TBXAS1 (0.62) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL10984950 0.73 TBXAS1 (0.62) CYP11B1CYP11B2CHRNB2CHRNA4MEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911754-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2013-10-09 — — EP disclosed
US-7790736-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 — — US disclosed
US-7776868-B2 Substituted bicyclic and tricyclic thieno[2,3-d]pyrimidines as A2A adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-08-17 — — US disclosed
US-7723344-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-05-25 — — US disclosed
EP-2121705-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2009-11-25 — — EP disclosed
US-7579357-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-25 — — US disclosed
US-7470700-B2 Such as 2-[2-(3-Amino-piperidin-1-yl)4-oxo-4H-quinazolin-3-ylmethyl]-benzonitrile; type 2 diabetes mellitus, diabetic dislipidemia, impaired glucose tolerance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-30 — — US disclosed
US-20080188495-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. 2008-08-07 — — US disclosed
WO-2008070529-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-06-12 — — WO disclosed
EP-1911754-A1 Dipeptidyl peptidase inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-04-16 — — EP disclosed
US-20050070535-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 — — US disclosed
US-20050070531-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 — — US disclosed
US-20050065144-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 — — US disclosed
US-20050065148-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 — — US disclosed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 — — WO disclosed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 — — EP disclosed
EP-0665847-A1 CEPHEM COMPOUNDS, AND THEIR PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-09 — — EP disclosed
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 — — US disclosed
WO-1994010177-A1 CEPHEM COMPOUNDS, AND THEIR PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 — — WO disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 — — EP 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 (5 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-20050065144-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 CYP11B1 1960/4885CYP11B2 2301/4885CHRNB2 4123/4885
US-20050070535-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 CYP11B1 1940/4885CYP11B2 2220/4885CHRNB2 4438/4885
US-20050070531-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 CYP11B1 1940/4885CYP11B2 2220/4885CHRNB2 4438/4885
US-20050065148-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 CYP11B1 1940/4885CYP11B2 2220/4885CHRNB2 4438/4885
US-20080188495-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA1 CYP11B1 2328/4885CYP11B2 2171/4885CHRNB2 25/4885

“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.