Sugi Predict

Sugi Predict / Compounds / SCHEMBL725217

SCHEMBL725217

SCHEMBL725217

CC(O)CN(CCO)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ TSHR P16473 3/20 0.52
▸ RECQL P46063 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ACHE P22303 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BCHE P06276 1/20 0.40

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
SCHEMBL17941715 1.00 ALDH1A1 (0.53) ALDH1A1GAAMAPTMAPK1TSHR
SCHEMBL3508595 1.00 ALDH1A1 (0.53) ALDH1A1GAAMAPTMAPK1TSHR
SCHEMBL27415046 0.91 TSHR (0.56) ALDH1A1GAAMAPTMAPK1TSHR
SCHEMBL27415031 0.88 TSHR (0.53) ALDH1A1GAAMAPTMAPK1TSHR
SCHEMBL9597865 0.87 TSHR (0.59) ALDH1A1TSHRRECQLMEN1KMT2A
SCHEMBL1608155 0.87 TSHR (0.59) ALDH1A1TSHRRECQLMEN1KMT2A
SCHEMBL12786257 0.87 TSHR (0.64) ALDH1A1TSHRRECQLMEN1KMT2A
SCHEMBL893965 0.87 TSHR (0.59) ALDH1A1TSHRRECQLMEN1KMT2A
SCHEMBL5425398 0.87 TSHR (0.64) ALDH1A1TSHRRECQLMEN1KMT2A
SCHEMBL2310169 0.86 TSHR (0.51) ALDH1A1GAAMAPTMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024208228-A1 NOVEL COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-10-10 — — WO disclosed
EP-3247713-B1 PYRAZOLO[3,4-D]PYRIMIDIN DERIVATIVE AND ITS USE FOR THE TREATMENT OF LEISHMANIASIS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-08-28 — — EP disclosed
CN-107406452-B Pyrazolo [3,4-d] pyrimidine derivatives and its purposes for treating leishmaniasis 葛兰素史密斯克莱知识产权发展有限公司 2019-07-23 — — CN disclosed
US-10253028-B2 Pyrazolo[3,4-D]pyrimidin derivative and its use for the treatment of leishmaniasis GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-09 — — US disclosed
US-20170369496-A1 PYRAZOLO[3,4-D]PYRIMIDIN DERIVATIVE AND ITS USE FOR THE TREATMENT OF LEISHMANIASIS UNIVERSITY OF DUNDEE (GB) 2017-12-28 — — US disclosed
EP-3247713-A1 PYRAZOLO[3,4-D]PYRIMIDIN DERIVATIVE AND ITS USE FOR THE TREATMENT OF LEISHMANIASIS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-11-29 — — EP disclosed
CN-107406452-A Pyrazolo [3,4 d] pyrimidine derivatives and its purposes for treating leishmaniasis 葛兰素史密斯克莱知识产权发展有限公司 2017-11-28 — — CN disclosed
EP-2432321-B1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-06-14 — — EP disclosed
EP-2432321-B1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-06-14 — — EP disclosed
WO-2016116563-A1 PYRAZOLO[3,4-D]PYRIMIDIN DERIVATIVE AND ITS USE FOR THE TREATMENT OF LEISHMANIASIS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-07-28 — — WO disclosed
EP-2432321-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2012-03-28 — — EP disclosed
US-20120053147-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2012-03-01 — — US disclosed
US-20120053147-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2012-03-01 — — US disclosed
US-8026254-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. (US) 2011-09-27 — — US disclosed
WO-2010135504-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-11-25 — — WO disclosed
WO-2010135504-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-11-25 — — WO disclosed
US-7687518-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-03-30 — — US disclosed
US-20100069437-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2010-03-18 — — US disclosed
US-20070179141-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2007-08-02 — — US disclosed
US-7202259-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-04-10 — — 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 (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-20070179141-A1 Therapeutic agents useful for treating pain OPRL1, OPRK1, OGFR ALDH1A1 1831/4885GAA 3848/4885MAPT 3640/4885
US-20100069437-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN OPRL1, OPRK1, OGFR ALDH1A1 1831/4885GAA 3848/4885MAPT 3640/4885
US-20170369496-A1 PYRAZOLO[3,4-D]PYRIMIDIN DERIVATIVE AND ITS USE FOR THE TREATMENT OF LEISHMANIASIS PIR, PAH, THPO ALDH1A1 639/4885GAA 2143/4885MAPT 4365/4885
US-10253028-B2 Pyrazolo[3,4-D]pyrimidin derivative and its use for the treatment of leishmaniasis PIR, PAH, THPO ALDH1A1 639/4885GAA 2143/4885MAPT 4365/4885
US-20120053147-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CA, PI4KA ALDH1A1 2476/4885GAA 1146/4885MAPT 3699/4885

“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.