SCHEMBL3843293

SCHEMBL3843293

CC(C)(C)OC(=O)NCCN[C@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 4/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 4/20 0.39
POLB P06746 2/20 0.39
PAX8 Q06710 1/20 0.38
CPB2 Q96IY4 3/20 0.38
BCHE P06276 1/20 0.38
CPB1 P15086 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
CKS1B P61024 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
SCHEMBL3845182 1.00 MEN1 (0.43) MEN1KMT2AGAAALDH1A1GFER
SCHEMBL10609690 0.89 TDP1 (0.41) MEN1KMT2AGAAALDH1A1GFER
SCHEMBL13617409 0.89 TDP1 (0.41) MEN1KMT2AGAAALDH1A1GFER
SCHEMBL30718117 0.86 ACE (0.47) MEN1KMT2AGAATDP1ATM
SCHEMBL214303 0.85 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL214302 0.85 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL1133305 0.85 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL29444707 0.84 ACE (0.43) MEN1KMT2AGAATDP1ATM
SCHEMBL29520630 0.83 ITGB3 (0.39) TDP1NPSR1POLBCPB2CPB1
SCHEMBL14631121 0.82 MEN1 (0.61) MEN1KMT2AGAAALDH1A1TDP1

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.