SCHEMBL375736

SCHEMBL375736

C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.51
CTSK P43235 6/20 0.43
CTSS P25774 3/20 0.43
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
EPHX1 P07099 2/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL16330581 0.83 CACNA1B (0.52) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL16469897 0.83 CACNA1B (0.52) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL28628007 0.83 CACNA1B (0.52) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL12405615 0.82 SMN1; SMN2 (0.47) CACNA1BCTSKCTSSSMN1; SMN2CYP1A2
SCHEMBL15083313 0.82 SMN1; SMN2 (0.49) CTSKCTSSSMN1; SMN2CYP1A2CYP2C9
SCHEMBL16289367 0.82 SMN1; SMN2 (0.49) CTSKCTSSSMN1; SMN2CYP1A2CYP2C9
SCHEMBL12332835 0.82 CTSK (0.50) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL560138 0.82 CACNA1B (0.50) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL192989 0.82 CACNA1B (0.50) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL16470235 0.82 CACNA1B (0.51) CACNA1BCTSKCTSSHDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297128-B1 INHIBITORS OF IKK- SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2012-08-15 EP disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
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-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-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-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2011-02-17 US disclosed
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2011-02-17 US disclosed
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 US disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
WO-2009130434-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2009-10-29 WO disclosed
WO-2008053185-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 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 (3 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 CACNA1B 2344/4885CTSK 2888/4885CTSS 2844/4885
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 CACNA1B 4712/4885CTSK 983/4885CTSS 2866/4885
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CSNK1E, PACSIN2, CHUK CACNA1B 2695/4885CTSK 840/4885CTSS 1123/4885

“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.