SCHEMBL1317784

SCHEMBL1317784

CSc1nc(Cl)cc(N2C[C@@H](C(=O)O)CC[C@H]2C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
FFAR4 Q5NUL3 1/20 0.35
EPHX2 P34913 2/20 0.33
NOTUM Q6P988 6/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30
RORC P51449 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30

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
SCHEMBL1317781 1.00 KMT2A (0.42) KMT2AFFAR4EPHX2NOTUMTSHR
SCHEMBL1317783 1.00 KMT2A (0.42) KMT2AFFAR4EPHX2NOTUMTSHR
SCHEMBL1316839 0.84 CNR1 (0.40) KMT2AEPHX2TSHRKDM4EALDH1A1
SCHEMBL1316841 0.84 CNR1 (0.40) KMT2AEPHX2TSHRKDM4EALDH1A1
SCHEMBL1316836 0.84 CNR1 (0.40) KMT2AEPHX2TSHRKDM4EALDH1A1
SCHEMBL1317794 0.83 EPHX2 (0.43) EPHX2LMNAHTTALDH1A1POLB
SCHEMBL1317792 0.83 EPHX2 (0.43) EPHX2LMNAHTTALDH1A1POLB
SCHEMBL1317827 0.82 TSHR (0.34) KMT2ANOTUMTSHRL3MBTL1LMNA
SCHEMBL1317829 0.82 TSHR (0.34) KMT2ANOTUMTSHRL3MBTL1LMNA
SCHEMBL1317832 0.82 TSHR (0.34) KMT2ANOTUMTSHRL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 KMT2A 2173/4885FFAR4 1847/4885EPHX2 4071/4885

“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.