SCHEMBL15312973

SCHEMBL15312973

CON=C(CC1CCCCC1)c1csc(C2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
PPARG P37231 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
SCHEMBL2588218 1.00 ALDH1A1 (0.33) ALDH1A1GAAHPGDPPARG
SCHEMBL2591277 0.87 ALDH1A1 (0.33) ALDH1A1GAAHPGDPPARG
SCHEMBL15446675 0.83 ALDH1A1 (0.43) ALDH1A1GAAHPGDPPARG
SCHEMBL13228438 0.82 ALDH1A1 (0.35) ALDH1A1GAAHPGDPPARG
SCHEMBL1119900 0.82 ALDH1A1 (0.36) ALDH1A1GAAHPGDPPARG
SCHEMBL15312959 0.82 BAZ2A (0.34) PPARG
SCHEMBL15312962 0.82 BAZ2A (0.34) PPARG
SCHEMBL1120023 0.82 ALDH1A1 (0.34) ALDH1A1GAAHPGDPPARG
SCHEMBL1119946 0.80 GAA (0.45) ALDH1A1GAAHPGDPPARG
SCHEMBL2595659 0.80 ALDH1A1 (0.33) ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9357779-B2 Ketoheteroarylpiperdine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9220266-B2 Ketoheteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-29 US disclosed
US-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-10-17 US disclosed
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-12-22 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 (2 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-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, CYP1A1 ALDH1A1 982/4885GAA 234/4885HPGD 808/4885
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, KCNH1 ALDH1A1 792/4885GAA 209/4885HPGD 965/4885

“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.