SCHEMBL4568059

SCHEMBL4568059

COc1ccc(CC(=O)c2csc(C)c2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MAPK10 P53779 1/20 0.39
NLRP1 Q9C000 1/20 0.39
KMT2A Q03164 4/20 0.38
ABCB1 P08183 2/20 0.37
NR1I2 O75469 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
F10 P00742 1/20 0.35
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4568357 0.89 ABCB1 (0.38) KMT2AABCB1NR1I2MEN1POLB
SCHEMBL4568052 0.85 NPC1 (0.46) TSHRKMT2AMEN1F10TP53
SCHEMBL4568025 0.84 KMT2A (0.38) TSHRKMT2AABCB1NR1I2MEN1
SCHEMBL4568012 0.84 KMT2A (0.45) KMT2AMEN1POLBL3MBTL1TP53
SCHEMBL4568051 0.83 KCNK3 (0.45) TSHRKMT2APOLBTP53NPC1
SCHEMBL4568067 0.83 KMT2A (0.50) KMT2AABCB1MEN1POLBTP53
SCHEMBL4568066 0.82 GAA (0.40) TSHRKMT2ANR1I2MEN1POLB
SCHEMBL4568054 0.82 SMN1; SMN2 (0.47) TSHRKMT2AMEN1L3MBTL1F10
SCHEMBL4568062 0.82 MEN1 (0.45) KMT2AMEN1POLBF10TP53
SCHEMBL4568362 0.81 CYP17A1 (0.37) KMT2AMEN1POLBF10TP53

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-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R TSHR 279/4885MAPK10 2183/4885NLRP1 1450/4885

“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.