SCHEMBL1055362

SCHEMBL1055362

NC(=O)c1ncncc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.44
TSHR P16473 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
MC4R P32245 1/20 0.38
ADRA1A P35348 1/20 0.38
MC3R P41968 1/20 0.38
HCAR2 Q8TDS4 1/20 0.33
LCK P06239 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
SIRT6 Q8N6T7 2/20 0.32
SIRT3 Q9NTG7 2/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
SARM1 Q6SZW1 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
SIRT4 Q9Y6E7 1/20 0.32
NNMT P40261 1/20 0.32

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
SCHEMBL352483 0.80 SPR (0.45) SPRTSHRADORA3MC4RADRA1A
SCHEMBL28170830 0.78 NNMT (0.41) TSHRADORA3MC4RADRA1AMC3R
Hydrochloric Acid SCHEMBL15900077 0.77 SPR (0.36) SPR
SCHEMBL23925748 0.77 ADORA3 (0.36) SPRTSHRADORA3MC4RADRA1A
SCHEMBL30338528 0.77 ADORA3 (0.36) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL15006471 0.77 SIRT3 (0.41) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL13771965 0.74 GABRP (0.36) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL20171265 0.74 CYP11B2 (0.43) MKNK1MKNK2CHUK
SCHEMBL13765814 0.72 LMNA (0.39) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL27984896 0.72 AR (0.45) TSHRADORA3MC4RADRA1AMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008069-A1 THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-01-14 US disclosed
EP-3756671-A1 THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE Daiichi Sankyo Company, Limited (JP) 2020-12-30 EP disclosed
CN-112074272-A Therapeutic agent for inflammatory bowel disease 第一三共株式会社 2020-12-11 CN disclosed
US-20190151315-A1 Drug For Preventing Or Treating Lactic Acidosis KEIO UNIVERSITY (JP) 2019-05-23 US disclosed
EP-3441070-A1 DRUG FOR PREVENTING OR TREATING LACTIC ACIDOSIS Keio University (JP) 2019-02-13 EP disclosed
US-20190000847-A1 THERAPEUTIC AGENT FOR A WOUND DAIICHI SANKYO COMPANY LIMITED (JP) 2019-01-03 US disclosed
CN-108883113-A The medicine of prevention or the treatment of lactic acidosis 学校法人庆应义塾 2018-11-23 CN disclosed
EP-3391887-A1 WOUND TREATMENT AGENT DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-10-24 EP disclosed
CN-108367007-A Therapeutic agent for wound 第三共株式会社 2018-08-03 CN disclosed
EP-2832726-B1 (2-HETEROARYLAMINO)SUCCINIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2017-09-06 EP disclosed
US-20050171038-A1 N-allyl-3-{2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxamide with HIV enzyme inhibitor AGOURON PHARMACEUTICALS, INC. 2005-08-04 US disclosed
US-20050171037-A1 Therapeutic combinations AGOURON PHARMACEUTICALS, INC. 2005-08-04 US disclosed
US-20050165040-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2005-07-28 US disclosed
WO-2005056542-A1 COMPOSITIONS COMPRISING AN HIV PROTEASE INHIBITOR PFIZER INC. (US) 2005-06-23 WO disclosed
US-20050129772-A1 Compositions comprising an HIV protease inhibitor AGOURON PHARMACEUTICALS, INC. 2005-06-16 US disclosed
US-20050124683-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2005-06-09 US disclosed
WO-2005026114-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2005-03-24 WO disclosed
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2004-10-14 US disclosed
US-20040171842-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis PFIZER INC 2004-09-02 US disclosed
WO-2004067531-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2004-08-12 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 (10 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-20050129772-A1 Compositions comprising an HIV protease inhibitor DPP4, DNPEP, DPP3 SPR 96/4885TSHR 4879/4885ADORA3 3126/4885
US-20050171038-A1 N-allyl-3-{2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxamide with HIV enzyme inhibitor DNPEP, ANPEP, AADAC SPR 138/4885TSHR 4748/4885ADORA3 589/4885
US-20210008069-A1 THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE SLC10A2, FABP2, SI SPR 2162/4885TSHR 4661/4885ADORA3 619/4885
US-20190151315-A1 Drug For Preventing Or Treating Lactic Acidosis LDHA, LDHB, SLC16A1 SPR 3031/4885TSHR 2615/4885ADORA3 290/4885
US-20040171842-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis SERPINB1, PEPD, PREP SPR 181/4885TSHR 4867/4885ADORA3 4438/4885
US-20050171037-A1 Therapeutic combinations CYP3A43, TMPRSS15, CYP3A5 SPR 42/4885TSHR 4454/4885ADORA3 2020/4885
US-20050124683-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis PEPD, SERPINB1, ACE SPR 263/4885TSHR 4876/4885ADORA3 3395/4885
US-20050165040-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use POLB, APOBEC3C, IDH3A SPR 550/4885TSHR 4826/4885ADORA3 2833/4885
US-20190000847-A1 THERAPEUTIC AGENT FOR A WOUND MMP8, CCL11, C3AR1 SPR 2636/4885TSHR 4585/4885ADORA3 1887/4885
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis FURIN, PREP, PRSS1 SPR 97/4885TSHR 4878/4885ADORA3 4186/4885

“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.