SCHEMBL4712178

SCHEMBL4712178

COC(=O)c1ccc(CS(=O)(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
TSHR P16473 2/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CYP19A1 P11511 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL19398871 0.82 CYP3A4 (0.60) MAPTTSHRCYP3A4CYP2C9LOXL2
SCHEMBL23329736 0.82 LMNA (0.61) MAPTTSHRCYP3A4CYP2C9LOXL2
SCHEMBL7165531 0.82 POLB (0.65) MAPTTSHRCYP3A4CYP2C9LOXL2
SCHEMBL3916464 0.81 POLB (0.62) MAPTTSHRCYP3A4CYP2C9LOXL2
SCHEMBL28445821 0.81 SAE1 (0.57) MAPTTSHRLOXL2CA12CA1
SCHEMBL7393 0.81 CA1 (0.57) MAPTTSHRLOXL2CA12CA1
SCHEMBL19398872 0.80 ALDH1A1 (0.64) MAPTTSHRCYP3A4CYP2C9KMT2A
SCHEMBL3921706 0.79 MAPT (0.54) MAPTTSHRCYP3A4CYP2C9LOXL2
Charcoal, Activated SCHEMBL31430427 0.79 CA1 (0.55) MAPTTSHRCA12CA1CA2
SCHEMBL19962767 0.76 RAB9A (0.70) MAPTKMT2APOLBMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402595-B2 Enzyme inhibitors with isoquinolinone structures TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-22 US disclosed
US-20050148624-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1484320-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2004-12-08 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-20050148624-A1 Jnk inhibitor MAPK3, MAPKAPK3, MAPK1 MAPT 1989/4885TSHR 2858/4885SIRT2 1764/4885

“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.