SCHEMBL5733947

SCHEMBL5733947

CC(C)(C)Cc1nc2cc(CC(=O)O)ccc2o1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.75
HPSE Q9Y251 11/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP26A1 O43174 1/20 0.44
CYP26B1 Q9NR63 1/20 0.44
ACLY P53396 1/20 0.44
GRK6 P43250 1/20 0.43
RGS12 O14924 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL6790729 0.90 GAA (0.72) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL7972175 0.89 GAA (0.59) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL6782984 0.89 GAA (0.60) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL3102305 0.86 GAA (1.00) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL7970834 0.85 GAA (0.56) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL7238051 0.83 GAA (0.80) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL7970831 0.83 GAA (0.53) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL11638476 0.81 GAA (0.71) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL6790398 0.80 GAA (0.50) GAAHPSEKDM4EACLYMAPT
SCHEMBL3738502 0.80 GAA (0.74) GAAHPSEKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686128-A2 Isothiazole derivatives and their use as pesticides Syngenta Limited (GB) 2006-08-02 EP disclosed
EP-1265892-B1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LTD (GB) 2006-01-18 EP disclosed
WO-2005040162-A1 5-(2-ARYLACETAMIDO)ISOTHIAZOLE COMPOUNDS I BASF AKTIENGESELLSCHAFT (DE) 2005-05-06 WO disclosed
US-6703347-B2 INSECTICIDES, FUNGICIDES, NEMATOCIDES, MOLLUSCICIDES, AND MITICIDES FOR PLANTS SYNGENTA LIMITED (GB) 2004-03-09 US disclosed
US-20030207926-A1 Isothiazole derivatives and their use as pesticides SYNGENTA LIMITED (GB) 2003-11-06 US disclosed
US-6544989-B2 Fungicidal, insecticidal, acaricidal, molluscicidal or nematicidal composition SYNGENTA LIMITED (GB) 2003-04-08 US disclosed
EP-1265892-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES Syngenta Limited (GB) 2002-12-18 EP disclosed
EP-1100798-B1 BENZAZOLE, BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES SYNGENTA LTD (GB) 2002-09-18 EP disclosed
WO-2001055143-A1 BENZOXAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed
WO-2001055144-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed
WO-2001055142-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed
WO-2001055141-A1 AZINE DERIVATIVES AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed
WO-2001055136-A1 BENZOXAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed
WO-2001055139-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed
EP-1100798-A1 BENZAZOLES: BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES Zeneca Limited (GB) 2001-05-23 EP disclosed
WO-2000006566-A1 BENZAZOLES: BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES SYNGENTA LIMITED (GB) 2000-02-10 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-20030207926-A1 Isothiazole derivatives and their use as pesticides CBR1, CBR3, CYP1B1 GAA 4838/4885HPSE 4855/4885KDM4E 2745/4885

“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.