SCHEMBL10154003

SCHEMBL10154003

CNS(=O)(=O)CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.38
TYK2 P29597 7/20 0.38
SIGMAR1 Q99720 1/20 0.36
JAK2 O60674 4/20 0.36
JAK3 P52333 4/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ACLY P53396 1/20 0.34
CYP1A2 P05177 1/20 0.33
EPHX1 P07099 2/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL10154033 0.98 JAK1 (0.39) JAK1TYK2SIGMAR1JAK2JAK3
SCHEMBL1513041 0.88
SCHEMBL17103485 0.78 JAK1 (0.43) JAK1TYK2JAK2JAK3
SCHEMBL17437799 0.78 SIGMAR1 (0.42) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL17103619 0.78 JAK1 (0.40) JAK1TYK2JAK2JAK3
SCHEMBL17103507 0.78 JAK1 (0.46) JAK1TYK2JAK2JAK3CA12
SCHEMBL17103509 0.78 JAK1 (0.46) JAK1TYK2JAK2JAK3CA12
SCHEMBL17103487 0.78 JAK1 (0.43) JAK1TYK2JAK2JAK3
SCHEMBL22674511 0.78 JAK1 (0.40) JAK1TYK2JAK2JAK3
SCHEMBL17103618 0.78 JAK1 (0.40) JAK1TYK2JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023001045-A9 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海椿安生物医药科技有限公司 2023-10-26 WO disclosed
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
WO-2021195599-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2021-09-30 WO disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
WO-2008092831-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-07 WO disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP 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 (3 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA JAK1 56/4885TYK2 72/4885SIGMAR1 2288/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 JAK1 2793/4885TYK2 1450/4885SIGMAR1 667/4885
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same XBP1, ERN1, ERN2 JAK1 4434/4885TYK2 3129/4885SIGMAR1 3895/4885

“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.