SCHEMBL19742873

SCHEMBL19742873

CS(=O)(=O)c1ccc(C(C#N)C(N)=O)c([N+](=O)[O-])c1.N#CC(C(N)=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.39
HPD P32754 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL19371271 0.90 ALDH1A1 (0.46) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL3834152 0.90 MAPT (0.45) ALDH1A1MAPTGAAHPDCYP1A2
SCHEMBL21219019 0.80 ALDH1A1 (0.56) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL21219021 0.80 ALDH1A1 (0.53) ALDH1A1MAPTGAAPOLBHPD
SCHEMBL19371257 0.79 ALOX5AP (0.37) ALDH1A1
SCHEMBL19371262 0.78 ALDH1A1 (0.46) ALDH1A1MAPTGAAHPDCYP1A2
SCHEMBL19742874 0.78 MAPT (0.41) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL30813068 0.77 ALDH1A1 (0.47) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL19371251 0.77 ALDH1A1 (0.47) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL8893024 0.76 HPD (0.46) ALDH1A1MAPTGAAHPDCYP1A2

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-20170369412-A1 Preparative method for carboxylic acids ZHEJIANG ZHUJI UNITED CHEMICALS CO., LTD 2017-12-28 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-20170369412-A1 Preparative method for carboxylic acids CBR3, CBR1, QPCT FLT1 4518/4885FLT4 3807/4885KDR 4140/4885

“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.