SCHEMBL822966

SCHEMBL822966

CCCCOCCCCCCCOC(=S)SC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 3/20 0.43
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CES2 O00748 1/20 0.37
EPHX1 P07099 1/20 0.36
ATM Q13315 1/20 0.35
ACHE P22303 3/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL13325418 1.00 CA12 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL17779968 0.90 TSHR (0.45) CA12CA1CA2CA9MEN1
SCHEMBL11654477 0.90 CA12 (0.55) CA12CA1CA2CA9MEN1
SCHEMBL15906464 0.90 CA12 (0.55) CA12CA1CA2CA9MEN1
SCHEMBL17230458 0.90 CA12 (0.55) CA12CA1CA2CA9MEN1
SCHEMBL11179708 0.90
SCHEMBL30355067 0.88 CA12 (0.56) CA12CA1CA2CA9TSHR
SCHEMBL3369822 0.80 ALDH1A1 (0.36) CA12CA1CA2CA9THRB
SCHEMBL18407217 0.78 CA12 (0.33) CA12CA1CA2CA9MEN1
SCHEMBL17776428 0.78 CA12 (0.33) CA12CA1CA2CA9MEN1

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
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
WO-2008003444-A1 FLUOROSURFACANTS MERCK PATENT GMBH (DE) 2008-01-10 WO disclosed
WO-2008003445-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 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-20090312432-A1 FLUOROSURFACTANTS SGMS2, FASN, SGMS1 CA12 1083/4885CA1 1729/4885CA2 1001/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 CA12 1240/4885CA1 1756/4885CA2 1023/4885

“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.