SCHEMBL13802466

SCHEMBL13802466

O=C(O)c1cccc(SCc2cccc(Cl)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.63
AR P10275 1/20 0.63
APEX1 P27695 1/20 0.56
NR4A2 P43354 1/20 0.55
PTPRC P08575 1/20 0.54
PTPRG P23470 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DAO P14920 1/20 0.51
POLB P06746 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
PLA2G1B P04054 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL12581571 0.89 APEX1 (0.65) MRGPRX4ARAPEX1CYP1A2CYP2C9
SCHEMBL693069 0.87 RXRA (0.57) MRGPRX4ARNR4A2PTPRCPTPRG
SCHEMBL15819764 0.87 SIRT2 (0.58) MRGPRX4ARAPEX1NR4A2PTPRG
SCHEMBL30198674 0.86 APEX1 (0.65) MRGPRX4ARAPEX1NR4A2CYP1A2
SCHEMBL3889076 0.86 APEX1 (0.65) MRGPRX4ARAPEX1NR4A2CYP1A2
SCHEMBL6840369 0.84 RXRA (0.54) MRGPRX4ARAPEX1PTPRCPTPRG
SCHEMBL6347118 0.83 SMN1; SMN2 (0.60) MRGPRX4ARAPEX1CYP1A2CYP2C9
SCHEMBL11565647 0.80 AR (0.64) MRGPRX4ARNR4A2PTPRCPTPRG
SCHEMBL45393 0.79 NPC1 (0.56) MRGPRX4ARAPEX1CYP1A2CYP2C9
SCHEMBL18304405 0.78 APEX1 (0.51) MRGPRX4ARAPEX1NR4A2CYP1A2

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 MRGPRX4 2781/4885AR 2451/4885APEX1 4527/4885

“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.