SCHEMBL1208313

SCHEMBL1208313

CC(CC(=O)Nc1sc2c(c1C#N)CCC(OC(=O)OCc1cncs1)C2)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
ALDH1A1 P00352 8/20 0.41
RAB9A P51151 5/20 0.41
POLB P06746 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
MCL1 Q07820 1/20 0.38
NPC1 O15118 4/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
ESR1 P03372 1/20 0.37
OPRK1 P41145 1/20 0.37
ESR2 Q92731 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL1207339 0.94 MAPT (0.42) MAPTALDH1A1RAB9APOLBMEN1
SCHEMBL16160255 0.92 ALDH1A1 (0.42) MAPTALDH1A1RAB9APOLBMEN1
SCHEMBL12895275 0.90 RAB9A (0.36) MAPTALDH1A1RAB9APOLBL3MBTL1
SCHEMBL1209722 0.86 MAPT (0.46) MAPTALDH1A1RAB9APOLBMEN1
SCHEMBL14293192 0.83 TSHR (0.38) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL1207350 0.83 MAPT (0.44) MAPTALDH1A1RAB9APOLBMEN1
SCHEMBL1208138 0.82 MAPT (0.43) MAPTALDH1A1RAB9APOLBMEN1
SCHEMBL16160233 0.82 MAPT (0.42) MAPTALDH1A1RAB9APOLBMEN1
SCHEMBL16160190 0.81 MAPT (0.42) MAPTALDH1A1RAB9APOLBMEN1
SCHEMBL1209607 0.81 MAPT (0.49) MAPTALDH1A1RAB9APOLBMEN1

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
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 US disclosed
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 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 (2 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-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MAPT 2507/4885ALDH1A1 289/4885RAB9A 2721/4885
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD MAPT 865/4885ALDH1A1 316/4885RAB9A 2531/4885

“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.