SCHEMBL9575337

SCHEMBL9575337

CCOC(=O)C(Cc1ccccc1)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.57
MMP8 P22894 1/20 0.56
TP53 P04637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TACR1 P25103 1/20 0.52
HPRT1 P00492 1/20 0.51
PSMB5 P28074 1/20 0.50
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
POLB P06746 2/20 0.48
GAA P10253 2/20 0.47
EPHX2 P34913 1/20 0.47
PPARG P37231 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL11014735 0.91 BACE1 (0.54) ELANEMMP8TP53ALDH1A1TACR1
SCHEMBL6712976 0.91 BACE1 (0.54) ELANEMMP8TP53ALDH1A1TACR1
SCHEMBL6715971 0.88 PPARG (0.63) MMP8ALDH1A1GAAPPARGRAB9A
SCHEMBL27880853 0.87 ATM (0.60) ALDH1A1PSMB5POLBGAARAB9A
SCHEMBL21428974 0.87 CTSG (0.52) ELANEMMP8TP53ALDH1A1TACR1
SCHEMBL15343891 0.84 MMP8 (0.59) ELANEMMP8TP53ALDH1A1TACR1
SCHEMBL27464748 0.84 MMP8 (0.59) ELANEMMP8TP53ALDH1A1TACR1
SCHEMBL8966036 0.84 MMP8 (0.59) ELANEMMP8TP53ALDH1A1TACR1
SCHEMBL27481741 0.84 GAA (0.50) MMP8TP53ALDH1A1GAARAB9A
SCHEMBL4765072 0.84 MMP8 (0.59) ELANEMMP8TP53ALDH1A1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210023034-A1 PHENYLALANINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2021-01-28 US disclosed
WO-2019185907-A1 PHENYLALANINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCERS UNIVERSITE PARIS EST CRETEIL VAL DE MARNE (FR) 2019-10-03 WO disclosed
EP-0528172-A1 (2-Alkyl-3-pyridyl)methylpiperazine derivatives as PAF antagonists J. URIACH & CIA. S.A. (ES) 1993-02-24 EP 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-20210023034-A1 PHENYLALANINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCERS IL4I1, PAH, IL4 ELANE 3230/4885MMP8 3937/4885TP53 73/4885

“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.