SCHEMBL1441850

SCHEMBL1441850

CCOC(=O)C(C#N)CC(=O)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TSHR P16473 1/20 0.37
SOAT1 P35610 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 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
SCHEMBL16006403 0.85 TDP1 (0.33) SMN1; SMN2TDP1
SCHEMBL1752394 0.82 ALDH1A1 (0.38) ALDH1A1TSHRSOAT1MEN1KMT2A
SCHEMBL8355327 0.82 ALDH1A1 (0.39) ALDH1A1TSHRSOAT1MEN1KMT2A
SCHEMBL537543 0.82 GAA (0.43) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9288796 0.81 MAPT (0.38) ALDH1A1KMT2ALMNAKDM4EMAPT
SCHEMBL10920266 0.79 ALDH1A1 (0.42) ALDH1A1TSHRSOAT1MEN1KMT2A
SCHEMBL10902100 0.79 ALDH1A1 (0.42) ALDH1A1TSHRSOAT1MEN1KMT2A
SCHEMBL890388 0.78 ALDH1A1 (0.41) ALDH1A1TSHRSOAT1MEN1KMT2A
SCHEMBL19313568 0.77 ALDH1A1 (0.37) ALDH1A1TSHRSOAT1MEN1KMT2A
SCHEMBL2002088 0.76 MEN1 (0.40) ALDH1A1TSHRSOAT1MEN1KMT2A

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
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 US disclosed
EP-2475666-A2 GYRASE INHIBITORS Trius Therapeutics, Inc. (US) 2012-07-18 EP disclosed
WO-2011032050-A2 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
EP-1091738-B1 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
EP-1091738-A4 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2003-03-05 EP disclosed
US-6384041-B1 ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS ELI LILLY AND COMPANY 2002-05-07 US disclosed
EP-1091738-A1 BICYCLIC sPLA 2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-04-18 EP disclosed
WO-2000000201-A1 BICYCLIC sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2000-01-06 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 (2 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B ALDH1A1 2837/4885TSHR 2940/4885SOAT1 1759/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B ALDH1A1 2837/4885TSHR 2940/4885SOAT1 1759/4885

“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.