SCHEMBL375738

SCHEMBL375738

C=CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
MAPT P10636 1/20 0.38
CTSK P43235 4/20 0.38
CTSS P25774 2/20 0.38
BTK Q06187 1/20 0.37
GAA P10253 2/20 0.36
CCR2 P41597 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KMT2A Q03164 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CACNA1B Q00975 1/20 0.31
ACE P12821 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL4848668 0.84 EPHX1 (0.40) EPHX1CTSKCTSSBTKGAA
SCHEMBL4848663 0.84 EPHX1 (0.40) EPHX1CTSKCTSSBTKGAA
SCHEMBL16469900 0.83 EPHX1 (0.43) EPHX1CTSKCTSSBTKGAA
SCHEMBL16470240 0.82 EPHX1 (0.42) EPHX1CTSKCTSSBTKGAA
SCHEMBL1147463 0.82 CTSS (0.41) EPHX1CTSKCTSSBTKGAA
SCHEMBL490642 0.82 CTSS (0.41) EPHX1CTSKCTSSBTKGAA
SCHEMBL376033 0.81 CTSS (0.40) EPHX1CTSKCTSSBTKGAA
SCHEMBL375865 0.81 CTSS (0.40) EPHX1CTSKCTSSBTKGAA
SCHEMBL27757442 0.81 CTSS (0.40) EPHX1CTSKCTSSBTKGAA
SCHEMBL490856 0.80 CTSK (0.39) EPHX1CTSKCTSSBTKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
EP-2297128-A1 INHIBITORS OF IKK- SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Ltd. (GB) 2011-03-23 EP disclosed
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2011-02-17 US disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US 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-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK EPHX1 986/4885MAPT 4744/4885CTSK 2888/4885
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CSNK1E, PACSIN2, CHUK EPHX1 3643/4885MAPT 2168/4885CTSK 840/4885

“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.