SCHEMBL1127255

SCHEMBL1127255

CCC(C)OC(=O)C(C(=O)O)C(=O)C(Cc1cccs1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
STAT3 P40763 1/20 0.37
ESR2 Q92731 1/20 0.37
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CTNNB1 P35222 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
SCHEMBL1127319 0.86 MAPT (0.39) ALDH1A1CYP2C19SMN1; SMN2KMT2AMAPT
SCHEMBL1127246 0.82 SMN1; SMN2 (0.47) ALDH1A1CYP2C19SMN1; SMN2KMT2AMEN1
SCHEMBL1127310 0.82 KMT2A (0.36) ALDH1A1CYP2C19SMN1; SMN2KMT2AMAPT
SCHEMBL1129447 0.82 ALDH1A1 (0.39) ALDH1A1CYP2C19SMN1; SMN2KMT2AMAPT
SCHEMBL1127394 0.81 MME (0.39) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL1127497 0.80 ALDH1A1 (0.36) ALDH1A1CYP2C19SMN1; SMN2KMT2AMAPT
SCHEMBL1127320 0.80 TSHR (0.44) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL4278338 0.80 MEN1 (0.40) ALDH1A1CYP2C19SMN1; SMN2KMT2AMAPT
SCHEMBL4281414 0.79 MME (0.38) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL1127442 0.79 KDM4E (0.37) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1

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
EP-2283002-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF ALDH1A1 1614/4885CYP2C19 3230/4885SMN1; SMN2 3563/4885

“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.