SCHEMBL961587

SCHEMBL961587

CCCCOC(=O)c1csc(Br)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.52
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA9 Q16790 6/20 0.52
ESR1 P03372 4/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
TSHR P16473 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL24045452 0.90 CA12 (0.50) CA12CA1CA2CA9ESR1
SCHEMBL161564 0.84 CA12 (0.52) CA12CA1CA2CA9ESR1
SCHEMBL15888158 0.84 CA12 (0.49) CA12CA1CA2CA9ESR1
SCHEMBL285573 0.83 RAB9A (0.66) NPC1MAPTRAB9AMEN1ALDH1A1
SCHEMBL14086070 0.83 ALDH1A1 (0.70) CA12CA1CA2CA9ESR1
SCHEMBL19718400 0.81 PLA2G4A (0.57) CA12CA1CA2CA9NPC1
SCHEMBL19718399 0.80 CA12 (0.51) CA12CA1CA2CA9ESR1
SCHEMBL23742089 0.77 CA12 (0.61) CA12CA1CA2CA9NPC1
SCHEMBL15104532 0.76 RAB9A (0.45) CA12CA1CA2CA9NPC1
SCHEMBL22939875 0.75 RAB9A (0.44) CA12CA1CA2CA9NPC1

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-4003955-A1 INHIBITORS OF HUMAN ATGL Karl-Franzens-Universität Graz (AT) 2022-06-01 EP disclosed
US-8501793-B2 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-20110015238-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
US-7833995-B2 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20070129327-A1 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1707208-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-04 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 (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-20070129327-A1 Blood flow promoters for cauda equina tissues PTGFR, PTGIS, PTGIR CA12 3936/4885CA1 3772/4885CA2 2625/4885
US-20110015238-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES PTGFR, PTGIS, PTGIR CA12 3936/4885CA1 3772/4885CA2 2625/4885

“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.