SCHEMBL375818

SCHEMBL375818

CC(C)(C)OC(=O)NC(CC1CCNCC1)C(=O)OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.51
▸ CTSS P25774 2/20 0.51
▸ CACNA1B Q00975 6/20 0.46
▸ AAK1 Q2M2I8 2/20 0.41
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TPSAB1 Q15661 2/20 0.39
▸ TPSD1 Q9BZJ3 2/20 0.39
▸ TPSG1 Q9NRR2 2/20 0.39
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ EPHX1 P07099 1/20 0.34

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
SCHEMBL375819 1.00 CTSK (0.51) CTSKCTSSCACNA1BAAK1HDAC4
SCHEMBL192266 0.87 CTSK (0.52) CTSKCTSSCACNA1BAAK1HDAC4
SCHEMBL192265 0.87 CTSK (0.52) CTSKCTSSCACNA1BAAK1HDAC4
SCHEMBL17373551 0.86 CTSS (0.53) CTSKCTSSCACNA1BAAK1HDAC4
SCHEMBL6386727 0.86 CTSS (0.53) CTSKCTSSCACNA1BAAK1HDAC4
SCHEMBL3163007 0.83 CTSK (0.50) CTSKCTSSCACNA1BAAK1HDAC4
SCHEMBL3782441 0.83 CTSS (0.51) CTSKCTSSCACNA1BAAK1HDAC4
SCHEMBL23850037 0.82 CTSS (0.57) CTSKCTSSAAK1KMT2A
SCHEMBL375943 0.82 CTSS (0.57) CTSKCTSSAAK1KMT2A
SCHEMBL375942 0.82 CTSS (0.57) CTSKCTSSAAK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 — — 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 (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 2866/4885CACNA1B 4712/4885

“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.

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