SCHEMBL2242971

SCHEMBL2242971

CC(C)N(C(=O)c1cc2c(cc1C(F)(F)F)OC(C)(C)C(=O)N2CCN)[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 4/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 2/20 0.33
PDK2 Q15119 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
REN P00797 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2239165 0.93 REN (0.32) PDK2REN
SCHEMBL2246024 0.92 PDK2 (0.32) PDK2
SCHEMBL2239697 0.91 BACE1 (0.35) KMT2APOLBHPGDNPSR1MEN1
SCHEMBL2240049 0.91 KMT2A (0.35) KMT2APOLBTSHRHPGDNPSR1
SCHEMBL2245258 0.91 TSHR (0.37) KMT2APOLBTSHRHPGDNPSR1
SCHEMBL2248433 0.90 KMT2A (0.34) KMT2APOLBTSHRHPGDNPSR1
SCHEMBL2245149 0.90 KMT2A (0.34) KMT2APOLBTSHRHPGDNPSR1
SCHEMBL2246533 0.90 KMT2A (0.35) KMT2APOLBTSHRHPGDNPSR1
SCHEMBL2239552 0.90
SCHEMBL2237771 0.90 KMT2A (0.35) KMT2APOLBTSHRHPGDNPSR1

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-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 KMT2A 1812/4885POLB 805/4885TSHR 772/4885

“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.