SCHEMBL3061785

SCHEMBL3061785

Cn1nnnc1SCC(C(=O)OCc1cccc(C(F)(F)F)c1)C(O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
CMA1 P23946 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
FFAR1 O14842 1/20 0.38
KCNA5 P22460 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
THRB P10828 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP1 P03956 1/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL3076912 0.84 FFAR1 (0.43) ALDH1A1LMNAFFAR1KCNA5PRKCA
SCHEMBL3069083 0.84 KCNA5 (0.44) ALDH1A1FFAR1KCNA5PRKCAPRKCD
SCHEMBL3066645 0.82 KCNA5 (0.43) FFAR1KCNA5PRKCAPRKCDMAPT
SCHEMBL3078927 0.82 FFAR1 (0.38) ALDH1A1LMNAFFAR1KCNA5PRKCA
SCHEMBL3071472 0.81 FFAR1 (0.41) FFAR1KCNA5PRKCAPRKCDTHRB
SCHEMBL3074292 0.80 FFAR1 (0.40) ALDH1A1FFAR1KCNA5PRKCAPRKCD
SCHEMBL3076028 0.80 FFAR1 (0.37) ALDH1A1FFAR1KCNA5PRKCAPRKCD
SCHEMBL3071336 0.80 FFAR1 (0.37) ALDH1A1FFAR1KCNA5PRKCAPRKCD
SCHEMBL3072922 0.79 FFAR1 (0.39) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL3075533 0.79 FFAR1 (0.46) LMNAFFAR1KCNA5PRKCAPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 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-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 ALDH1A1 764/4885LMNA 516/4885CMA1 392/4885

“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.