SCHEMBL3461369

SCHEMBL3461369

[O]C(=S)SCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
IDO1 P14902 10/20 0.54
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
NOS2 P35228 1/20 0.54
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
TDP1 Q9NUW8 2/20 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
SCHEMBL161188 0.81 CA12 (0.65) CA12CA1CA2CA9IDO1
SCHEMBL3461371 0.81 CA12 (0.65) CA12CA1CA2CA9IDO1
SCHEMBL2499860 0.79 IDO1 (0.56) CA12CA1CA2CA9IDO1
SCHEMBL162537 0.79 CA12 (0.63) CA12CA1CA2CA9IDO1
Hydrochloric Acid SCHEMBL11844622 0.79 CA12 (0.63) CA12CA1CA2CA9IDO1
SCHEMBL10821320 0.79 CA12 (0.63) CA12CA1CA2CA9IDO1
SCHEMBL23781322 0.78 CA12 (0.57) CA12CA1CA2CA9IDO1
SCHEMBL13046869 0.77 CA12 (0.61) CA12CA1CA2CA9IDO1
SCHEMBL22772246 0.77 CA12 (0.61) CA12CA1CA2CA9IDO1
SCHEMBL224486 0.77 CA12 (0.61) CA12CA1CA2CA9IDO1

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
EP-2226632-B1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-02-12 EP disclosed
US-8450070-B2 Method for screening of cell-protecting agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 US disclosed
US-20100279311-A1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-04 US disclosed
EP-2226632-A1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT Takeda Pharmaceutical Company Limited (JP) 2010-09-08 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-20100279311-A1 METHOD FOR SCREENING OF CELL-PROTECTING AGENT HSF1, HSP90AB1, HSP90AA1 CA12 3518/4885CA1 2491/4885CA2 2730/4885

“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.