SCHEMBL440583

SCHEMBL440583

CS(=O)(=O)c1cc[nH]n1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL22494209 0.80 AKR1B1 (0.35)
SCHEMBL329387 0.78
SCHEMBL28399588 0.77 AKR1B1 (0.31)
SCHEMBL31747939 0.77
SCHEMBL14659954 0.77
SCHEMBL4976456 0.76
SCHEMBL21670717 0.76 CA2 (0.39)
Hydrochloric Acid SCHEMBL3710347 0.76 CA2 (0.39)
SCHEMBL958579 0.76 ALDH1A1 (0.39)
SCHEMBL19913375 0.76 TXNRD1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116881-A1 KIF MODULATOR COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS INC (US) 2026-04-30 US disclosed
WO-2025081019-A1 KIF MODULATOR COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2025-04-17 WO disclosed
EP-4327809-A2 TYK2 INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-02-28 EP disclosed
EP-3344624-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2023-10-25 EP disclosed
WO-2023134765-A1 FIVE-MEMBERED-RING-CONTAINING DERIVATIVES, PREPARATION METHOD THEREFOR, AND USES THEREOF 上海翰森生物医药科技有限公司 2023-07-20 WO disclosed
US-20230192666-A1 PIPERAZINE INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2023-06-22 US disclosed
CN-110678177-B Pyrazole MAGL inhibitors H.隆德贝克有限公司 2023-06-13 CN disclosed
US-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-18 US disclosed
US-10781204-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-09-22 US disclosed
US-10023571-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2018-07-17 US disclosed
CN-101687877-A Heterocyclic cyclopamine analogs and methods of use thereof INFINITY DISCOVERY INC 2010-03-31 CN disclosed
US-7648994-B2 Heterocyclic cyclopamine analogs and methods of use thereof INFINITY DISCOVERY, INC. (US) 2010-01-19 US disclosed
EP-2129677-A1 HETEROCYCLIC CYCLOPAMINE ANALOGS AND METHODS OF USE THEREOF Infinity Discovery, Inc. (US) 2009-12-09 EP disclosed
US-20080293755-A1 Steroidal alkaloids that can be used in the treatment of hedgehog pathway related disorders, particularly cancer and psoriasis INFINITY DISCOVERY, INC. (US) 2008-11-27 US disclosed
WO-2008109184-A1 HETEROCYCLIC CYCLOPAMINE ANALOGS AND METHODS OF USE THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2008-09-12 WO disclosed
CN-101255142-A 2-substituted sulfinyl-5-(3,4,5-trialkoxy phenyl)-1,3,4-oxadiazole derivatives as well as preparation method and uses thereof UNIV GUIZHOU (CN) 2008-09-03 CN disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO disclosed
EP-0352944-B1 Derivatives of N-phenylpyrazoles RHONE POULENC AGRICULTURE (GB) 1995-03-01 EP disclosed
EP-0352944-A1 Derivatives of N-phenylpyrazoles RHONE-POULENC AGRICULTURE LIMITED (GB) 1990-01-31 EP disclosed