SCHEMBL375868

SCHEMBL375868

NCCN1CCN(C(=O)OC2CCCC2)C(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 8/20 0.36
TPSD1 Q9BZJ3 8/20 0.36
TPSG1 Q9NRR2 8/20 0.36
AGTR2 P50052 4/20 0.36
RAB9A P51151 1/20 0.35
CHRM3 P20309 1/20 0.34
PRSS1 P07477 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL375867 0.82 CHRM3 (0.35) TPSAB1TPSD1TPSG1CHRM3PRSS1
SCHEMBL9937440 0.76 PRSS1 (0.39) TPSAB1TPSD1TPSG1AGTR2RAB9A
SCHEMBL3783660 0.76 KLK7 (0.47) L3MBTL1SMN1; SMN2
SCHEMBL12820517 0.74 ALDH1A1 (0.54) RAB9AALDH1A1SMN1; SMN2
SCHEMBL9937907 0.73 AGTR2 (0.46) TPSAB1TPSD1TPSG1AGTR2PRSS1
SCHEMBL1424033 0.70 ALOX15 (0.41) AGTR2
SCHEMBL5253414 0.69 HSD17B10 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL13604577 0.69 HSD17B10 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL376354 0.68 TPSAB1 (0.36) TPSAB1TPSD1TPSG1RAB9APRSS1
SCHEMBL6857792 0.67 ATM (0.53) ALDH1A1

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-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
EP-2079743-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER Chroma Therapeutics Limited (GB) 2009-07-22 EP 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 (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 TPSAB1 2683/4885TPSD1 1133/4885TPSG1 2236/4885

“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.