SCHEMBL3845409

SCHEMBL3845409

CC(C)(C)OC(=O)NCCNC(Cc1ncc[nH]1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
BCHE P06276 1/20 0.40
TDP1 Q9NUW8 5/20 0.39
ATM Q13315 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
PTPN1 P18031 1/20 0.39
NPSR1 Q6W5P4 5/20 0.38
POLB P06746 2/20 0.38
PAX8 Q06710 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
MAPT P10636 4/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL13617947 0.90 TDP1 (0.41) MEN1KMT2AGAABCHETDP1
SCHEMBL4713820 0.80 NPSR1 (0.47) BCHETDP1NPSR1STK17BSTK17A
SCHEMBL4734573 0.78 STK17B (0.47) MEN1KMT2AGAATDP1ATM
SCHEMBL3845182 0.78 MEN1 (0.43) MEN1KMT2AGAABCHETDP1
SCHEMBL3843293 0.78 MEN1 (0.43) MEN1KMT2AGAABCHETDP1
SCHEMBL3839708 0.77 CPB2 (0.48) GAA
SCHEMBL3844081 0.77 CPB2 (0.48) GAA
SCHEMBL3794186 0.77 L3MBTL1 (0.48) BCHETDP1NPSR1STK17BSTK17A
SCHEMBL12647368 0.77 TBXAS1 (0.49) MEN1KMT2AGAATDP1ATM
SCHEMBL6585454 0.76 TDP1 (0.51) MEN1KMT2ATDP1ATMNPSR1

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-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed
US-6949577-B2 Pharmaceuticals PFIZER, INC. (US) 2005-09-27 US disclosed
US-20030236420-A1 Pharmaceuticals ALLERTON CHARLOTTE MOIRA NORFO (GB) 2003-12-25 US disclosed
US-20020147229-A1 Pharmaceuticals PFIZER INC. 2002-10-10 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-20020147229-A1 Pharmaceuticals BDKRB1, TFPI, BDKRB2 MEN1 575/4885KMT2A 3013/4885GAA 2705/4885
US-20030236420-A1 Pharmaceuticals BDKRB1, TFPI, SERPINE1 MEN1 563/4885KMT2A 3432/4885GAA 2551/4885

“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.