SCHEMBL20085643

SCHEMBL20085643

CC(C)S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC40A1 Q9NP59 1/20 0.43
TXNRD1 Q16881 1/20 0.42
VCAM1 P19320 3/20 0.40
EPHX2 P34913 1/20 0.40
HTT P42858 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOD2 Q9HC29 1/20 0.40
PDE7A Q13946 1/20 0.39
ALDH3A1 P30838 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HSPB1 P04792 2/20 0.37
KIF18A Q8NI77 1/20 0.37
PSEN1 P49768 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
SCHEMBL2060749 0.87 ATM (0.56) ATMTDP1TXNRD1VCAM1LMNA
SCHEMBL20306091 0.83 ATM (0.44) ATMTDP1SLC40A1VCAM1EPHX2
SCHEMBL23640082 0.82 ALDH1A1 (0.52) TDP1TXNRD1HTTSMN1; SMN2PDE7A
SCHEMBL819721 0.82 TSHR (0.55) TDP1TXNRD1VCAM1ALDH1A1THRB
SCHEMBL3872754 0.81 VCAM1 (0.55) ATMTDP1SLC40A1VCAM1EPHX2
SCHEMBL14866071 0.81 KIF18A (0.57) TXNRD1VCAM1LMNASMN1; SMN2PDE7A
SCHEMBL1026473 0.81 S100A4 (0.44) TXNRD1VCAM1HTTLMNAALDH1A1
SCHEMBL28090703 0.80 ALDH1A1 (0.48) TDP1SLC40A1TXNRD1LMNASMN1; SMN2
SCHEMBL9963191 0.79 POLB (0.45) ATMTDP1LMNAALDH1A1MAPT
SCHEMBL14519881 0.78 POLB (0.50) SLC40A1TXNRD1VCAM1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 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-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 ATM 1285/4885TDP1 1272/4885SLC40A1 4077/4885

“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.