SCHEMBL942893

SCHEMBL942893

CC(C)(C)OC(=O)NCCC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
SIGMAR1 Q99720 3/20 0.49
BCHE P06276 1/20 0.49
MALT1 Q9UDY8 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
NR4A2 P43354 1/20 0.44
DRD2 P14416 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL21848478 0.91 SMN1; SMN2 (0.53) IDO1SIGMAR1BCHEMALT1MEN1
SCHEMBL1929771 0.91 SIGMAR1 (0.52) IDO1SIGMAR1BCHEMALT1MEN1
SCHEMBL10322699 0.90 L3MBTL1 (0.53) IDO1SIGMAR1MEN1KMT2AGAA
SCHEMBL14736097 0.86 MAPT (0.49) IDO1SIGMAR1BCHEMALT1MEN1
SCHEMBL16079979 0.84 CTNNB1 (0.49) BCHEMALT1GAAMAPTALDH1A1
SCHEMBL2166736 0.84 NQO2 (0.56) IDO1SIGMAR1BCHEMALT1GAA
SCHEMBL941121 0.84 JAK3 (0.48) IDO1SIGMAR1BCHEMALT1MEN1
SCHEMBL17677117 0.84 JAK3 (0.55) IDO1SIGMAR1BCHEMALT1MEN1
SCHEMBL17737795 0.84 KMT2A (0.46) IDO1SIGMAR1BCHEMEN1KMT2A
SCHEMBL6239081 0.83 CTSS (0.44) BCHEMALT1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585628-B Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-03-26 CN disclosed
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-10-06 US disclosed
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP disclosed
CN-114585628-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2022-06-03 CN disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
WO-2020063399-A1 METHOD FOR LIGHT-INDUCED DECARBOXYLATION COUPLING OF ACTIVE CARBOXYLIC ACID ESTER UNDER NON-METAL CATALYSIS 中国科学技术大学 2020-04-02 WO disclosed
CN-109096150-A A kind of nonmetal catalyzed method for preparing beta-amino ketones of photoinduction 中国科学技术大学 2018-12-28 CN disclosed
US-8324257-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-8318782-B2 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-27 US disclosed
US-20070276017-A1 Thiadiazoline Derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070155804-A1 Mitotic kinesin inhibitor KYOWA HAKKO KOGYO CO., LTD. OF TOKYO, JAPAN FUJI PHOTO FILM CO., LTD. KANAGAWA, JAPAN 2007-07-05 US disclosed
EP-1786816-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY Virochem Pharma Inc. (CA) 2007-05-23 EP disclosed
US-20070112044-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-17 US disclosed
CN-1802361-A M-stage kinesin inhibitor KYOWA HAKKO KOGYO KK (JP) 2006-07-12 CN disclosed
EP-1671957-A1 THIADIAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-06-21 EP disclosed
CN-1774428-A M-phase kinesin inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-05-17 CN disclosed
EP-1632484-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-08 EP disclosed
EP-1616866-A1 M-STAGE KINESIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-01-18 EP disclosed
WO-2005023810-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC. (CA) 2005-03-17 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 (4 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-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B IDO1 4272/4885SIGMAR1 2503/4885BCHE 3709/4885
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B IDO1 4783/4885SIGMAR1 2196/4885BCHE 4473/4885
US-20070276017-A1 Thiadiazoline Derivative BRD7, NR3C2, NR5A2 IDO1 2418/4885SIGMAR1 585/4885BCHE 3249/4885
US-20070112044-A1 Thiadiazoline derivative TLK2, TLK1, BRWD1 IDO1 264/4885SIGMAR1 1219/4885BCHE 4701/4885

“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.