SCHEMBL8440801

SCHEMBL8440801

CC(C)(C)OC(=O)NCCc1ccsc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
NAMPT P43490 1/20 0.46
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
TP53 P04637 2/20 0.44
NQO2 P16083 1/20 0.44
PTGER4 P35408 1/20 0.43
IDO1 P14902 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL28465270 0.86 CA1 (0.45) CTSSCTSKCA1CA2NAMPT
SCHEMBL392452 0.81 GLA (0.58) OPRM1OPRD1OPRK1HTTLMNA
SCHEMBL28121772 0.80 POLB (0.50) OPRM1OPRD1OPRK1MAPTALDH1A1
SCHEMBL30926112 0.80 CTSS (0.50) CTSSCTSKCA1CA2IDO1
SCHEMBL1295297 0.80 CTSS (0.50) CTSSCTSKTP53TDP1MAPT
SCHEMBL572740 0.78 IDO1 (0.60) CTSSCTSKCA1CA2NAMPT
SCHEMBL28453156 0.78 OPRM1 (0.44) CTSSCTSKOPRM1OPRD1OPRK1
SCHEMBL7516052 0.78 KDM4E (0.56) OPRM1OPRD1OPRK1TDP1MAPT
SCHEMBL12283041 0.77 NPC1 (0.60) CA1CA2NAMPTNQO2PTGER4
SCHEMBL1569661 0.77 CA2 (0.56) CTSKCA1CA2NAMPTNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471756-B1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF SANOFI SA (FR) 1997-10-29 EP claimed
US-20260062443-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMA INC (US) 2026-03-05 US disclosed
US-20250346585-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2025-11-13 US disclosed
WO-2024120505-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF, AND USE THEREOF 上海枢境生物科技有限公司 2024-06-13 WO disclosed
WO-2024044098-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
WO-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-01-11 US disclosed
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 EP disclosed
WO-2016116061-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR 南京明德新药研发股份有限公司 2016-07-28 WO disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 CN disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 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-20260062443-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS C9, SSB, C1S CTSS 113/4885CTSK 990/4885CA1 2829/4885
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 CTSS 1682/4885CTSK 2279/4885CA1 1993/4885
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor HSP90AB1, HSP90AA1, HSP90AB2P CTSS 4000/4885CTSK 4272/4885CA1 4365/4885
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor HSP90AB1, HSP90AA1, HSP90AB2P CTSS 4000/4885CTSK 4272/4885CA1 4365/4885
US-20250346585-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS C5, C1S, C9 CTSS 127/4885CTSK 345/4885CA1 4723/4885

“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.