SCHEMBL4457037

SCHEMBL4457037

NC(=O)C1C2C=CC(O2)C1C(=O)NOS(=O)(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
PPM1B O75688 5/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4780072 0.77 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1HSD17B10HPGD
SCHEMBL4090243 0.76 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1HSD17B10GLA
SCHEMBL7804864 0.72 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1PPM1BHSD17B10
SCHEMBL9013304 0.72 PPM1B (0.39) ALDH1A1KMT2AMEN1PPM1BHSD17B10
SCHEMBL2873702 0.71 PPM1B (0.38) ALDH1A1KMT2AMEN1PPM1BHSD17B10
SCHEMBL9013023 0.70 PPM1B (0.42) ALDH1A1KMT2AMEN1PPM1BHSD17B10
SCHEMBL13002242 0.69 PPM1B (0.52) ALDH1A1KMT2AMEN1PPM1BHSD17B10
Ethane SCHEMBL23063636 0.68 PPM1B (0.41) ALDH1A1KMT2AMEN1PPM1BHSD17B10
SCHEMBL9013063 0.66 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1PPM1BHSD17B10
SCHEMBL13002241 0.66 PPM1B (0.41) ALDH1A1KMT2AMEN1PPM1BHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090288855-A1 POSITIVE-TYPE RADIATION-SENSITIVE RESIN COMPOSITION FOR PRODUCING A METAL-PLATING FORMED MATERIAL, TRANSCRIPTION FILM AND PRODUCTION METHOD OF A METAL-PLATING FORMED MATERIAL JSR CORPORATION (JP) 2009-11-26 US disclosed
US-20070031758-A1 Positive-type radiation-sensitive resin composition for producing a metal-plating formed material, transcription film and production method of a metal-plating formed material JSR CORPORATION (JP) 2007-02-08 US disclosed
US-20040138242-A1 Dihydropyrimidines and uses thereof MERCK AND CO., INC. 2004-07-15 US disclosed
US-20040053158-A1 Onium salts and the use therof as latent acids CIBA SPECIALTY CHEMICALS CORP. 2004-03-18 US disclosed
US-6512020-B1 Photosensitive acid-donors in chemically amplified resist formulations. activated by irradiation with actinic electromagnetic radiation and electron beams. CIBA SPECIALTY CHEMICALS CORPORATION 2003-01-28 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-20040138242-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D ALDH1A1 73/4885KMT2A 2204/4885MEN1 3244/4885

“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.