Sugi Predict

Sugi Predict / Compounds / SCHEMBL4346003

SCHEMBL4346003

SCHEMBL4346003

N[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ NPC1 O15118 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ CYP2C19 P33261 1/20 0.62
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ GRIN2B Q13224 9/20 0.52
▸ CYP2D6 P10635 4/20 0.52
▸ CYP2C9 P11712 4/20 0.52
▸ HTT P42858 1/20 0.50
▸ CYP3A4 P08684 3/20 0.49
▸ PDE4B Q07343 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.47
▸ ENPP2 Q13822 1/20 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
SCHEMBL2299841 1.00 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL504782 1.00 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL24568503 1.00 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL28448846 1.00 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
Hydrochloric Acid SCHEMBL29725278 0.99 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
Hydrochloric Acid SCHEMBL28809324 0.99 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
Hydrochloric Acid SCHEMBL29641220 0.99 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL17693035 0.92 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL505599 0.92 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL505151 0.91 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109369513-B Preparation method of FBDD common molecular fragment 都创(上海)医药科技有限公司 2020-08-25 — — CN claimed
US-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-07-25 — — US disclosed
CN-110582493-B Benzoxazole derivatives as immunomodulators 因赛特公司 2024-03-08 — — CN disclosed
CN-112300172-B Bruton tyrosine kinase inhibitors 比奥根MA公司 2024-01-16 — — CN disclosed
US-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 — — US disclosed
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2023-02-16 — — US disclosed
EP-4056562-A1 HETEROCYCLIC INHIBITORS OF BRUTON'S TYROSINE KINASE Merck Patent GmbH (DE) 2022-09-14 — — EP disclosed
EP-3558985-B1 BENZOOXAZOLE DERIVATIVES AS IMMUNOMODULATORS INCYTE CORP (US) 2022-09-07 — — EP disclosed
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-06-23 — — US disclosed
US-11339149-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2022-05-24 — — US disclosed
EP-2718270-B1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2022-04-27 — — EP disclosed
CN-112300172-A Bruton's tyrosine kinase inhibitors 比奥根MA公司 2021-02-02 — — CN disclosed
CN-109369513-B Preparation method of FBDD common molecular fragment 都创(上海)医药科技有限公司 2020-08-25 — — CN disclosed
CN-107011330-B Bruton's tyrosine kinase inhibitors 比奥根MA公司 2020-07-03 — — CN disclosed
CN-110582493-A Benzoxazole derivatives as immunomodulators 因赛特公司 2019-12-17 — — CN disclosed
CN-109369513-A A kind of FBDD often uses the preparation method of molecule fragment 都创(上海)医药科技有限公司 2019-02-22 — — CN disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 — — US disclosed
EP-1869052-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS AstraZeneca AB (SE) 2007-12-26 — — EP disclosed
WO-2006106326-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2006-10-12 — — 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 (6 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-11339149-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS SMN1; SMN2 4177/4885NPC1 945/4885RAB9A 2399/4885
US-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK SMN1; SMN2 4292/4885NPC1 4086/4885RAB9A 2773/4885
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK SMN1; SMN2 4292/4885NPC1 4086/4885RAB9A 2773/4885
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS SMN1; SMN2 4177/4885NPC1 945/4885RAB9A 2399/4885
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 SMN1; SMN2 3290/4885NPC1 3695/4885RAB9A 1275/4885
US-11787793-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS SMN1; SMN2 4177/4885NPC1 945/4885RAB9A 2399/4885

“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.