SCHEMBL7084568

SCHEMBL7084568

O=C(NCC(O)CO)c1snc(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.37
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
MAP2K1 Q02750 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
CNR2 P34972 1/20 0.33
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
MAP2K2 P36507 1/20 0.31
PRKCZ Q05513 1/20 0.31
IARS2 Q9NSE4 1/20 0.31
HTT P42858 2/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL22263190 0.71 KDM4E (0.43) CYP2C19ALDH1A1KDM4EHPGDHTT
SCHEMBL7493226 0.69 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDHTTMAPK1
SCHEMBL9465986 0.69 NAAA (0.46) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9466305 0.69 NAAA (0.46) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7088251 0.66 HPGD (0.43) LMNACYP2C19ALDH1A1KDM4EHPGD
SCHEMBL24227433 0.65 PRMT5 (0.57) LMNAALDH1A1KDM4EHPGDHTT
SCHEMBL7108469 0.65 CNR2 (0.41) ROCK2CA2LMNACYP2C19HIF1A
SCHEMBL7652930 0.65 KDM4E (0.49) CA2MAP2K1ALDH1A1KDM4EHPGD
SCHEMBL30358366 0.65 HPGD (0.48) CA2MAP2K1ALDH1A1KDM4EHPGD
SCHEMBL15221118 0.65 MAPK1 (0.52) CA2LMNAKDM4EHPGDMAPK1

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 ROCK2 3754/4885CA2 887/4885LMNA 4750/4885

“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.