SCHEMBL3576552

SCHEMBL3576552

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.52
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
EPHX1 P07099 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
GAA P10253 1/20 0.39
BCHE P06276 1/20 0.39
CACNA1B Q00975 5/20 0.39
REN P00797 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3576555 1.00 CAPN1 (0.52) CAPN1HDAC1HDAC8MEN1KMT2A
SCHEMBL8256601 0.84 CACNA1B (0.50) CAPN1HDAC1MEN1KMT2ACTSS
SCHEMBL560137 0.84 CACNA1B (0.50) CAPN1HDAC1MEN1KMT2ACTSS
SCHEMBL560138 0.84 CACNA1B (0.50) CAPN1HDAC1MEN1KMT2ACTSS
SCHEMBL3574991 0.81 SMN1; SMN2 (0.41) POLBGAABCHESMN1; SMN2
SCHEMBL3571893 0.81 SMN1; SMN2 (0.41) POLBGAABCHESMN1; SMN2
SCHEMBL3581970 0.81 DRD2 (0.38) CAPN1HDAC1MEN1KMT2ANPSR1
SCHEMBL3581972 0.81 DRD2 (0.38) CAPN1HDAC1MEN1KMT2ANPSR1
SCHEMBL3566178 0.80 NPR3 (0.43) HDAC1HDAC8MEN1KMT2ANPSR1
SCHEMBL3566181 0.80 NPR3 (0.43) HDAC1HDAC8MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-2079742-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER Chroma Therapeutics Limited (GB) 2009-07-22 EP disclosed
WO-2008050078-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-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 CAPN1 3109/4885HDAC1 1883/4885HDAC8 2315/4885

“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.