SCHEMBL17878013

SCHEMBL17878013

CC(C)(C)OC(=O)NCc1ccc(N2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
NAMPT P43490 1/20 0.47
GPR119 Q8TDV5 5/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
ITGB3 P05106 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
ITGA2B P08514 1/20 0.43
PRSS3 P35030 1/20 0.43
FPR3 P25089 1/20 0.42

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
SCHEMBL29192701 0.89 MAPT (0.52) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL26101401 0.88 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL17878015 0.86 ALDH1A1 (0.57) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL29311592 0.86 CKS1B (0.53) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL20946394 0.85 KMT2A (0.55) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL17878014 0.85 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL21396291 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL13007739 0.83 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL4487502 0.83 KMT2A (0.58) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL24120598 0.81 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 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-20160185774-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 SMN1; SMN2 4839/4885MEN1 3685/4885KMT2A 4781/4885

“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.