SCHEMBL1198560

SCHEMBL1198560

CCOC(=O)c1cccc(CC(N)=S)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
MEP1B Q16820 1/20 0.52
CA2 P00918 2/20 0.52
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 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
SCHEMBL40857 0.85 LOXL2 (0.67) CYP4F2CYP4A11MAPTALDH1A1KMT2A
SCHEMBL481385 0.83 CYP4F2 (0.64) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL14993010 0.83 CYP4F2 (0.64) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL129801 0.82 CYP4F2 (0.71) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL27972778 0.82 LOXL2 (0.46) CYP4F2CYP4A11ALDH1A1KMT2AMEN1
SCHEMBL2450193 0.81 LOXL2 (0.71) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL1505289 0.81 CYP4F2 (0.54) CYP4F2CYP4A11CA2MAPTALDH1A1
SCHEMBL22897012 0.81 CYP4F2 (0.40) CYP4F2CYP4A11MEP1BCA2KMT2A
SCHEMBL7885872 0.81 CYP4F2 (0.61) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL128387 0.80 CYP4F2 (0.72) CYP4F2CYP4A11MEP1BCA2MAPT

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A CYP4F2 1227/4885CYP4A11 330/4885MEP1B 1588/4885

“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.