Sugi Predict

Sugi Predict / Compounds / SCHEMBL3472396

SCHEMBL3472396

SCHEMBL3472396

CN[C@@H](Cc1ccccn1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRA P18433 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ FDPS P14324 1/20 0.49
▸ HDAC6 Q9UBN7 4/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ GRIN3A Q8TCU5 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ RAB9A P51151 2/20 0.46

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
SCHEMBL29831780 1.00 PTPRA (0.61) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL10065593 1.00 PTPRA (0.61) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL13972048 1.00 PTPRA (0.61) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL28625929 0.98 PTPRA (0.59) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
Bromide SCHEMBL17476046 0.98 PTPRA (0.59) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
Bromide SCHEMBL17476045 0.98 PTPRA (0.59) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL17642097 0.87 PTPRA (0.53) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL15075315 0.87 PTPRA (0.53) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL13957292 0.84 PTPRA (0.58) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL20272599 0.84 PTPRA (0.58) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 — — EP disclosed
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 — — EP disclosed
US-20230293638-A1 METHOD OF USING A GIP/GLP1 CO-AGONIST FOR DIABETES ELI LILLY AND COMPANY 2023-09-21 — — US disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 — — CN disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 — — US disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 — — CN disclosed
CN-110016020-B Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 赛克里翁治疗有限公司 2022-07-26 — — CN disclosed
EP-3998260-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2022-05-18 — — EP disclosed
EP-3998260-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2022-05-18 — — EP disclosed
EP-3660013-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2022-01-19 — — EP disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 — — US disclosed
US-20140323435-A1 Thienopyrimidine Inhibitors of Atypical Protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-10-30 — — US disclosed
WO-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 — — WO disclosed
WO-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 — — WO disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 — — US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 — — US disclosed
US-8343458-B2 Probes for in vivo targeting of active cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-01-01 — — US disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 — — US disclosed
EP-2044031-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS Bayer HealthCare AG (DE) 2009-04-08 — — EP disclosed
WO-2008006479-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2008-01-17 — — 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 (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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 PTPRA 4214/4885SMN1; SMN2 1246/4885CYP1A2 872/4885
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS F2, TFPI, PLAT PTPRA 3004/4885SMN1; SMN2 4341/4885CYP1A2 70/4885
US-20230293638-A1 METHOD OF USING A GIP/GLP1 CO-AGONIST FOR DIABETES GLP1R, GIPR, GCGR PTPRA 520/4885SMN1; SMN2 3497/4885CYP1A2 1810/4885
US-20140323435-A1 Thienopyrimidine Inhibitors of Atypical Protein Kinase C PRKCQ, PRKDC, PRKACA PTPRA 937/4885SMN1; SMN2 4628/4885CYP1A2 4515/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 PTPRA 2359/4885SMN1; SMN2 252/4885CYP1A2 1639/4885

“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.