SCHEMBL17992189

SCHEMBL17992189

CCS(=O)(=O)CC(=O)c1ccc(OCC(F)(F)C(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BACE1 P56817 2/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ ACACB O00763 2/20 0.40
▸ MEN1 O00255 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ SCN9A Q15858 5/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CACNA1G O43497 2/20 0.33
▸ CACNA1H O95180 2/20 0.33
▸ CACNA1I Q9P0X4 2/20 0.33
▸ P4HTM Q9NXG6 1/20 0.33

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
SCHEMBL19767100 0.86 ACACB (0.37) SMN1; SMN2BACE1BACE2ACACBSCN9A
SCHEMBL17992230 0.85 BACE1 (0.38) SMN1; SMN2BACE1BACE2SCN9AMMP13
SCHEMBL19672945 0.81 HTT (0.41) KMT2AHTTSMN1; SMN2BACE1BACE2
SCHEMBL29120290 0.80 MEN1 (0.33) KMT2AMEN1ALDH1A1TSHRP4HTM
SCHEMBL1974946 0.79 P4HTM (0.52) KMT2AHTTSMN1; SMN2BACE1BACE2
SCHEMBL15669996 0.79 KMT2A (0.44) KMT2AHTTSMN1; SMN2BACE1BACE2
SCHEMBL1973974 0.79 KMT2A (0.48) KMT2AHTTSMN1; SMN2BACE1BACE2
SCHEMBL17668770 0.78 KMT2A (0.47) KMT2AHTTSMN1; SMN2BACE1BACE2
SCHEMBL17992215 0.77 BACE1 (0.39) KMT2AHTTSMN1; SMN2BACE1BACE2
SCHEMBL20601596 0.75 ACACB (0.34) ACACBP4HTM

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-10173997-B2 Bipyridine compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-01-08 — — US disclosed
US-20180009778-A1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-11 — — US disclosed
WO-2017073733-A1 PEST CONTROL COMPOSITION AND USE THEREOF 住友化学株式会社 2017-05-04 — — WO disclosed
WO-2016121969-A1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL 住友化学株式会社 2016-08-04 — — 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 (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-20180009778-A1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL BBOX1, ACHE, MORF4L1 KMT2A 4252/4885HTT 4092/4885SMN1; SMN2 1146/4885
US-10173997-B2 Bipyridine compound and use of same for noxious arthropod control BBOX1, ACHE, MORF4L1 KMT2A 4252/4885HTT 4092/4885SMN1; SMN2 1146/4885

“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.

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