SCHEMBL824146

SCHEMBL824146

CC(C)C1CCN(S(=O)(=O)C2CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
HCRTR2 O43614 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.32
CCL5 P13501 1/20 0.32
ROCK2 O75116 3/20 0.31
ROCK1 Q13464 3/20 0.31
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL27329783 0.90 EPHX2 (0.46) EPHX2HCRTR2CCL5
SCHEMBL22171140 0.88 EPHX2 (0.33) EPHX2HCRTR2SMN1; SMN2MCOLN3CCL5
SCHEMBL24267436 0.88 EPHX2 (0.33) EPHX2HCRTR2SMN1; SMN2MCOLN3CCL5
SCHEMBL10232856 0.88 EPHX2 (0.33) EPHX2HCRTR2SMN1; SMN2MCOLN3CCL5
SCHEMBL13411086 0.83 EPHX2 (0.40) EPHX2SMN1; SMN2CCL5
SCHEMBL20233006 0.80 EPHX2 (0.35) EPHX2HCRTR2CCL5
SCHEMBL11989581 0.80 EPHX2 (0.35) EPHX2SMN1; SMN2CCL5ROCK2ROCK1
SCHEMBL824151 0.80 TP53 (0.46) HCRTR2SMN1; SMN2
SCHEMBL15722360 0.80 L3MBTL1 (0.44) EPHX2SMN1; SMN2
SCHEMBL10119969 0.80 HCRTR2 (0.32) HCRTR2CCL5

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-2023235880-A1 CD38 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2023-12-07 WO disclosed
EP-3722298-B1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC (KR) 2023-08-02 EP disclosed
WO-2021057696-A1 HETEROARYL COMPOUND AND APPLICATION THEREOF 隆泰申医药科技(南京)有限公司 2021-04-01 WO disclosed
EP-3722298-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR Oscotec Inc. (KR) 2020-10-14 EP disclosed
EP-2815750-A1 5-cyano-4-(pyrrolo [2,3b] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2014-12-24 EP disclosed
EP-2124951-B1 5-CYAN0-4- (PYRROLO[2, 3B]PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2014-05-21 EP disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-8143287-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2012-03-27 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20100323965-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2010-12-23 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
US-7786159-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2010-08-31 US disclosed
US-7786159-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2010-08-31 US disclosed
US-20080139621-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2008-06-12 US disclosed
US-20080139621-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2008-06-12 US disclosed
WO-2008070583-A2 THROMBOPOIETIN MIMETICS STATEGICS, INC. (US) 2008-06-12 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 (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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 EPHX2 1225/4885HCRTR2 595/4885SMN1; SMN2 2552/4885
US-20080139621-A1 Thrombopoietin Mimetics MPL, THPO, TEK EPHX2 2108/4885HCRTR2 3020/4885SMN1; SMN2 1872/4885
US-20100323965-A1 Thrombopoietin Mimetics MPL, THPO, TEK EPHX2 2108/4885HCRTR2 3020/4885SMN1; SMN2 1872/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 EPHX2 669/4885HCRTR2 1084/4885SMN1; SMN2 4086/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 EPHX2 834/4885HCRTR2 894/4885SMN1; SMN2 2427/4885

“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.