SCHEMBL560138

SCHEMBL560138

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.50
CTSK P43235 4/20 0.50
CTSS P25774 3/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
CAPN1 P07384 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL560137 1.00 CACNA1B (0.50) CACNA1BCTSKCTSSCTSLCTSB
SCHEMBL8256601 1.00 CACNA1B (0.50) CACNA1BCTSKCTSSCTSLCTSB
SCHEMBL3579962 0.90 CACNA1B (0.51) CACNA1BCTSKCTSSCTSLCTSB
SCHEMBL3579958 0.90 CACNA1B (0.51) CACNA1BCTSKCTSSCTSLCTSB
SCHEMBL3579959 0.90 CACNA1B (0.51) CACNA1BCTSKCTSSCTSLCTSB
SCHEMBL16330581 0.85 CACNA1B (0.52) CACNA1BCTSKCTSSSMN1; SMN2GAA
SCHEMBL28628007 0.85 CACNA1B (0.52) CACNA1BCTSKCTSSGAAHDAC4
SCHEMBL16469897 0.85 CACNA1B (0.52) CACNA1BCTSKCTSSGAAHDAC4
SCHEMBL3576555 0.84 CAPN1 (0.52) CACNA1BCTSKCTSSCTSLCTSB
SCHEMBL3576552 0.84 CAPN1 (0.52) CACNA1BCTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421844-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Ltd. (GB) 2012-02-29 EP disclosed
US-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LD. (GB) 2012-02-09 US disclosed
WO-2010122294-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2010-10-28 WO disclosed
US-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-01-07 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-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE IKBKE, IKBKB, NFKBIA CACNA1B 2996/4885CTSK 4212/4885CTSS 4785/4885
US-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 CACNA1B 4797/4885CTSK 439/4885CTSS 1345/4885

“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.