SCHEMBL7088412

SCHEMBL7088412

CCOC(=O)C(=CCc1ccc(Cl)cc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
MAPT P10636 7/20 0.44
LMNA P02545 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL18281787 0.84 MAPT (0.62) NPSR1ALDH1A1GAATDP1MEN1
SCHEMBL6067639 0.83 MEN1 (0.62) NPSR1ALDH1A1GAASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL18281794 0.81 MAPT (0.59) NPSR1ALDH1A1GAATDP1MEN1
SCHEMBL95660 0.77 MAPT (0.45) NPSR1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL5860473 0.77 MEN1 (0.72) NPSR1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL7347631 0.75 MAPT (0.50) ALDH1A1GAASMN1; SMN2TDP1MEN1
SCHEMBL10461126 0.75 MAPT (0.44) NPSR1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL5808567 0.75 MAPT (0.52) ALDH1A1GAASMN1; SMN2TDP1MEN1
SCHEMBL10863680 0.73 DHODH (0.77) NPSR1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL2414237 0.73 MEN1 (0.66) NPSR1ALDH1A1GAASMN1; SMN2TDP1

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-20030176477-A1 Isothiazolecarboxylic acid derivatives and their use as microbicides NIHON BAYER AGROCHEM, K.K. (JP) 2003-09-18 US disclosed
EP-1261592-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2002-12-04 EP disclosed
WO-2001055124-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-08-02 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-20030176477-A1 Isothiazolecarboxylic acid derivatives and their use as microbicides IFNG, MPO, CD14 NPSR1 2725/4885ALDH1A1 430/4885GAA 2029/4885

“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.