SCHEMBL2238062

SCHEMBL2238062

CCCc1ccc2c(c1)CCc1c(CC(CCCNC(=O)OC(C)(C)C)C(=O)O)ncn1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ACE P12821 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA6 Q16445 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2237182 1.00 MEN1 (0.41) MEN1KMT2AGAAACEGABRA1
SCHEMBL2234528 0.90 PPARG (0.39) MEN1KMT2AGAAACEMAPT
SCHEMBL2235504 0.90 PPARG (0.39) MEN1KMT2AGAAACEMAPT
SCHEMBL2237252 0.89 MEN1 (0.44) MEN1KMT2AGAAACEMAPT
SCHEMBL2235169 0.89 MEN1 (0.44) MEN1KMT2AGAAACEMAPT
SCHEMBL2235434 0.88 MEN1 (0.42) MEN1KMT2AGAAACEGABRA1
SCHEMBL2234628 0.88 MEN1 (0.43) MEN1KMT2AGAAACECYP11B1
SCHEMBL2237078 0.88 MEN1 (0.43) MEN1KMT2AGAAACECYP11B1
SCHEMBL2235325 0.87 MEN1 (0.43) MEN1KMT2AGAAACEP2RY14
SCHEMBL2236721 0.87 MEN1 (0.43) MEN1KMT2AGAAACEPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 MEN1 4119/4885KMT2A 3664/4885GAA 1535/4885

“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.