SCHEMBL3777346

SCHEMBL3777346

CC(C)(C)OC(=O)N[C@@H](CC(CBr)C1CCCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.46
CTSS P25774 5/20 0.46
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CACNA1B Q00975 2/20 0.39
EPHX1 P07099 1/20 0.39
MAPK1 P28482 1/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
IDO1 P14902 1/20 0.38
ACE P12821 1/20 0.37
BTK Q06187 1/20 0.37
KMT2A Q03164 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL376032 0.84 CTSK (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL376195 0.84 CTSK (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL4215161 0.84 CTSK (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL375864 0.84 CTSK (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL11151475 0.83 CTSK (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1147462 0.83 CTSK (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL490640 0.83 CTSK (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL375995 0.82 CTSK (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1486213 0.82 CTSK (0.50) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL8689950 0.82 CTSK (0.50) CTSKCTSSHDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2008053157-A1 AMINOHETEROARYL COMPOUNDS AS FOR THE TREATMENT OF DISEASES MEDIATED BY C-MET KINASE ACTIVITY CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 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 (1 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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 CTSK 983/4885CTSS 2866/4885HDAC4 2850/4885

“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.