SCHEMBL19767100

SCHEMBL19767100

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.37
▸ P4HTM Q9NXG6 1/20 0.35
▸ RORC P51449 1/20 0.33
▸ CACNA1I Q9P0X4 3/20 0.33
▸ CACNA1G O43497 2/20 0.33
▸ CACNA1H O95180 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ DGAT1 O75907 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SCN9A Q15858 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
SCHEMBL17992230 0.89 BACE1 (0.38) P4HTMCACNA1ICACNA1GCACNA1HCNR2
SCHEMBL17992189 0.86 KMT2A (0.41) ACACBP4HTMCACNA1ICACNA1GCACNA1H
SCHEMBL21078914 0.79 P4HTM (0.41) ACACBP4HTMCACNA1ICACNA1GCACNA1H
SCHEMBL29120290 0.78 MEN1 (0.33) P4HTM
SCHEMBL26401362 0.77 ACACB (0.37) ACACBP4HTMCACNA1ICACNA1GCACNA1H
SCHEMBL19767082 0.76 ACACB (0.32) ACACBP4HTMCACNA1ICACNA1GCACNA1H
SCHEMBL21982064 0.76 P4HTM (0.32) P4HTM
SCHEMBL20601596 0.75 ACACB (0.34) ACACBP4HTM
SCHEMBL30405431 0.75 ACACB (0.34) ACACBP4HTM
SCHEMBL17987946 0.75 APLNR (0.40) P4HTMNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180009778-A1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-11 — — 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-20180009778-A1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL BBOX1, ACHE, MORF4L1 ACACB 3813/4885P4HTM 2662/4885RORC 2722/4885

“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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