SCHEMBL14964656

SCHEMBL14964656

CCCS(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
GAA P10253 3/20 0.55
VCAM1 P19320 1/20 0.49
LMNA P02545 6/20 0.46
RECQL P46063 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 2/20 0.46
CA1 P00915 1/20 0.46
MMP2 P08253 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 1/20 0.46
HIF1A Q16665 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
BRAF P15056 1/20 0.43
AURKA O14965 1/20 0.42
KDR P35968 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
SCHEMBL584314 0.90 ALDH1A1 (0.59) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL14574664 0.84 ALDH1A1 (0.54) ALDH1A1GAALMNARECQLMEN1
SCHEMBL14574910 0.83 VCAM1 (0.53) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL6200524 0.83 ALDH1A1 (0.54) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL461513 0.81 ALDH1A1 (0.61) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL8806944 0.80 ALDH1A1 (0.52) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL27183377 0.78 ALDH1A1 (0.58) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL1462084 0.77 CYP3A4 (0.48) CYP2C19CYP3A4CYP2C9BRAFAURKA
SCHEMBL26386096 0.77 CYP3A4 (0.48) CYP2C19CYP3A4CYP2C9BRAFAURKA
SCHEMBL6852162 0.75 ATM (0.45) ALDH1A1LMNAMAPTCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780341-B1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2019-02-13 EP disclosed
US-9550781-B2 Kinase modulating compounds, compositions containing the same and use thereof CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-01-24 US disclosed
US-9550781-B2 Kinase modulating compounds, compositions containing the same and use thereof CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-01-24 US disclosed
US-9550781-B2 Kinase modulating compounds, compositions containing the same and use thereof CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-01-24 US disclosed
US-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-10-02 US disclosed
US-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-10-02 US disclosed
US-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-10-02 US disclosed
EP-2780341-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Centaurus Biopharma Co., Ltd. (CN) 2014-09-24 EP disclosed
WO-2013071865-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-05-23 WO disclosed
WO-2013071865-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-05-23 WO 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-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF MAP3K20, MAP3K1, PRKCH ALDH1A1 4445/4885GAA 1818/4885VCAM1 2839/4885

“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.