SCHEMBL12733167

SCHEMBL12733167

CC(C)(C)c1ncc(C(F)(F)F)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
AGBL2 Q5U5Z8 1/20 0.40
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.37
PLAU P00749 1/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CFTR P13569 1/20 0.35
LMNA P02545 1/20 0.34
ALOX5AP P20292 1/20 0.34

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
SCHEMBL20457092 0.82 AGBL2 (0.47) ALDH1A1KDM4EAGBL2POLBPKM
SCHEMBL24177969 0.78 POLB (0.39) ALDH1A1KDM4EAGBL2POLBPKM
SCHEMBL15803003 0.78 PDE2A (0.39) ALDH1A1KDM4EAGBL2POLBPKM
SCHEMBL19625796 0.77 AGBL2 (0.37) ALDH1A1KDM4EAGBL2POLBPKM
SCHEMBL12871592 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBRAB9APLAU
SCHEMBL27295912 0.76 AGBL2 (0.46) ALDH1A1KDM4EAGBL2POLBPKM
SCHEMBL13920210 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL28641181 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EAGBL2POLBPKM
SCHEMBL24177929 0.74 AGBL2 (0.41) ALDH1A1AGBL2POLBPKMHPGD
SCHEMBL31202649 0.72 ALDH1A1 (0.45) ALDH1A1KDM4EAGBL2POLBPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 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-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 ALDH1A1 2140/4885KDM4E 1066/4885AGBL2 2260/4885

“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.