SCHEMBL490705

SCHEMBL490705

CCN(C)C(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.44
LIPG Q9Y5X9 3/20 0.44
HDAC4 P56524 1/20 0.43
NAMPT P43490 1/20 0.43
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
MLYCD O95822 1/20 0.39
TRPV1 Q8NER1 2/20 0.38

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
SCHEMBL14518464 0.86 HDAC4 (0.51) HDAC4NAMPTPDK2ALDH1A1HPGD
SCHEMBL26699702 0.86 NAMPT (0.46) LPLLIPGNAMPTPDK2ALDH1A1
SCHEMBL133138 0.83 HPGD (0.58) ALDH1A1HPGDMAPTL3MBTL1MLYCD
SCHEMBL4022759 0.82 DPP4 (0.40) LPLLIPGCA2TRPV1
SCHEMBL1820475 0.82 LPL (0.41) LPLLIPGALDH1A1HPGDMAPT
SCHEMBL28504646 0.82 HDAC4 (0.46) LPLLIPGHDAC4MLYCD
SCHEMBL22858842 0.81 MLYCD (0.44) LPLLIPGCA2MLYCDTRPV1
SCHEMBL134473 0.80 ALDH1A1 (0.55) LPLLIPGPDK2ALDH1A1HPGD
SCHEMBL3763655 0.80 HPGD (0.49) LPLLIPGPDK2ALDH1A1HPGD
SCHEMBL28499683 0.80 HDAC6 (0.43) HDAC4ALDH1A1MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US disclosed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
EP-2078015-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
US-8106046-B2 Cyclopentathiophene modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-31 US disclosed
EP-2334671-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPA B ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2011-06-22 EP disclosed
US-20110105495-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 US disclosed
WO-2009158380-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPA B ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO disclosed
EP-2078015-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-07-15 EP disclosed
WO-2008057859-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 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 (7 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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA LPL 3725/4885LIPG 3793/4885HDAC4 1051/4885
US-20110105495-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFKB1, NFRKB LPL 3906/4885LIPG 4026/4885HDAC4 1694/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 LPL 4619/4885LIPG 4254/4885HDAC4 1360/4885
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF NFKB2, NFKBIA, AP1G1 LPL 4485/4885LIPG 4487/4885HDAC4 1360/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 LPL 1937/4885LIPG 1889/4885HDAC4 1334/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 LPL 4619/4885LIPG 4254/4885HDAC4 1360/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 LPL 4619/4885LIPG 4254/4885HDAC4 1360/4885

“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.