SCHEMBL4008583

SCHEMBL4008583

COC(=O)C(C)OCc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
ALDH1A1 P00352 3/20 0.51
LDHA P00338 1/20 0.49
ATM Q13315 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
F2RL1 P55085 1/20 0.47
KLK7 P49862 1/20 0.47
IDO1 P14902 1/20 0.46
AGXT P21549 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR1 O14842 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45

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
SCHEMBL15409086 1.00 HTT (0.53) HTTALDH1A1LDHAATMMAPT
SCHEMBL7069557 0.87 LMNA (0.52) HTTALDH1A1LDHAATMMAPT
SCHEMBL31234585 0.85 LDHA (0.59) HTTALDH1A1LDHAATMMAPT
SCHEMBL19725366 0.85 HTT (0.50) HTTALDH1A1LDHAATMMAPT
SCHEMBL4005029 0.85 LDHA (0.59) HTTALDH1A1LDHAATMMAPT
SCHEMBL8520688 0.85 LDHA (0.59) HTTALDH1A1LDHAATMMAPT
SCHEMBL12437265 0.83 TDP1 (0.46) ALDH1A1MAPTPOLBTDP1
SCHEMBL2215260 0.83 TDP1 (0.46) ALDH1A1MAPTPOLBTDP1
SCHEMBL19896817 0.83 HTT (0.49) HTTALDH1A1LDHAMAPTSMN1; SMN2
SCHEMBL2384186 0.83 ALDH1A1 (0.52) ALDH1A1ATMMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed
US-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-20 US disclosed
US-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-03-11 US disclosed
WO-2019136112-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-11 WO disclosed
EP-2872514-B1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-30 EP disclosed
US-9556178-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-21 US disclosed
US-9273057-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 US disclosed
EP-2872514-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2015-05-20 EP disclosed
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-05 US disclosed
US-8940736-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-20140018319-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-01-16 US disclosed
WO-2014011974-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-16 WO disclosed
EP-1734957-A4 THIAZOLE SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-06-17 EP disclosed
US-20080108675-A1 THIAZOLE SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-05-08 US disclosed
US-7309709-B2 Thiazole sulfonamide compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2007-12-18 US disclosed
EP-1734957-A2 THIAZOLE SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-12-27 EP disclosed
WO-2005097114-A2 THIAZOLE SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-20 WO disclosed
US-20050222223-A1 Thiazole sulfonamide compounds for the treatment of neurodegenerative disorders PFIZER INC. 2005-10-06 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 (8 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-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT HTT 3868/4885ALDH1A1 551/4885LDHA 1766/4885
US-20050222223-A1 Thiazole sulfonamide compounds for the treatment of neurodegenerative disorders APP, PSEN1, PSEN2 HTT 5/4885ALDH1A1 1228/4885LDHA 3585/4885
US-20080108675-A1 THIAZOLE SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 HTT 5/4885ALDH1A1 1228/4885LDHA 3585/4885
US-20140018319-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 HTT 4507/4885ALDH1A1 2258/4885LDHA 3635/4885
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 HTT 4507/4885ALDH1A1 2258/4885LDHA 3635/4885
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 HTT 4507/4885ALDH1A1 2258/4885LDHA 3635/4885
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 HTT 4507/4885ALDH1A1 2258/4885LDHA 3635/4885
US-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT HTT 3868/4885ALDH1A1 551/4885LDHA 1766/4885

“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.