SCHEMBL1985456

SCHEMBL1985456

C[C@H](NC(=O)c1cnc(N)s1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MMP2 P08253 2/20 0.46
CA9 Q16790 2/20 0.46
P2RX7 Q99572 3/20 0.45
MAPK1 P28482 1/20 0.45
SMYD3 Q9H7B4 2/20 0.45
EPHX2 P34913 2/20 0.40
NTRK1 P04629 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ACACB O00763 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL1983871 0.99 SMYD3 (0.46) JAK2JAK1JAK3CA12CA1
SCHEMBL1986003 0.96 SMYD3 (0.46) JAK2JAK1JAK3CA12CA1
SCHEMBL12455912 0.81 TP53 (0.44) MAPK1HDAC3HDAC4HDAC6ACACB
SCHEMBL11751760 0.77 SMYD3 (0.43) JAK2JAK1JAK3CA12CA1
SCHEMBL1987487 0.77 LCK (0.39) JAK2JAK1JAK3CA12CA1
SCHEMBL6907136 0.75 MAPK11 (0.49) SMYD3KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL1985128 0.75 HDAC6 (0.67) CA2MAPK1HDAC3HDAC4HDAC6
SCHEMBL12599534 0.75 ALDH1A1 (0.52) JAK2JAK1JAK3CA12CA1
SCHEMBL1984376 0.73 HDAC6 (0.64) CA2MAPK1HDAC3HDAC4HDAC6
SCHEMBL1987380 0.73 ALDH1A1 (0.54) JAK2JAK1JAK3CA12CA1

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
EP-2222655-B1 N-CYCL0ALKYLMETHYL-2-AMIN0THIAZ0LE-5-CARB0XAMIDES FOR USE IN PLANT DISEASE CONTROL SUMITOMO CHEMICAL CO (JP) 2011-06-29 EP disclosed
EP-2222655-B1 N-CYCL0ALKYLMETHYL-2-AMIN0THIAZ0LE-5-CARB0XAMIDES FOR USE IN PLANT DISEASE CONTROL SUMITOMO CHEMICAL CO (JP) 2011-06-29 EP disclosed
US-20100298391-A1 AMIDE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 US disclosed
US-20100298391-A1 AMIDE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 US disclosed
US-20100298391-A1 AMIDE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 US disclosed
WO-2009066790-A1 N-CYCL0ALKYLMETHYL-2-AMIN0THIAZ0LE-5-CARB0XAMIDES FOR USE IN PLANT DISEASE CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 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-20100298391-A1 AMIDE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL CYC1, NAT1, CYCS JAK2 2625/4885JAK1 1918/4885JAK3 3096/4885

“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.