SCHEMBL29660352

SCHEMBL29660352

CCC(C)OC(=O)c1csc(Br)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 7/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GABRA1 P14867 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 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
SCHEMBL162375 0.84 CA12 (0.41) L3MBTL1CA12CA1CA2CA9
SCHEMBL29911112 0.83 CA12 (0.48) CA12CA1CA2CA9MAPT
SCHEMBL285573 0.77 RAB9A (0.66) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL15104532 0.76 RAB9A (0.45) CA12CA1CA2CA9MAPT
SCHEMBL22939875 0.75 RAB9A (0.44) CA12CA1CA2CA9MAPT
SCHEMBL29660330 0.74 RAB9A (0.50) MAPTRAB9ANPC1ALDH1A1NPSR1
SCHEMBL595766 0.74 MAOA (0.50) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL24045452 0.74 CA12 (0.50) CA12CA1CA2CA9MAPT
SCHEMBL3398237 0.73 RAB9A (0.42) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL961587 0.72 CA12 (0.52) L3MBTL1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289698-A1 INHIBITORS OF HUMAN ATGL Karl-Franzens-Universität Graz (AT) 2022-09-15 US disclosed
EP-4003955-A1 INHIBITORS OF HUMAN ATGL Karl-Franzens-Universität Graz (AT) 2022-06-01 EP 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-20220289698-A1 INHIBITORS OF HUMAN ATGL LIPC, LIPG, PNLIP L3MBTL1 268/4885CA12 4884/4885CA1 4882/4885

“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.