SCHEMBL22059617

SCHEMBL22059617

CCC(=O)NCc1ccc(SC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
CYP2C19 P33261 2/20 0.49
PTPRZ1 P23471 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL29260504 0.81 MAPT (0.59) LMNAEPHX2NR1H4NPC1MAPT
SCHEMBL6017524 0.81 KMT2A (0.59) LMNAEPHX2NR1H4NPC1MAPT
SCHEMBL826020 0.81 KMT2A (0.53) LMNAKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL933964 0.80 PTPRZ1 (0.75) LMNAEPHX2NR1H4MAPTPTPRZ1
SCHEMBL2261290 0.80 MCL1 (0.64) LMNAEPHX2NR1H4NPC1MAPT
SCHEMBL660986 0.79 KMT2A (0.62) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL21648724 0.79 EPHX2 (0.51) LMNAEPHX2CYP2C19ALDH1A1CYP3A4
SCHEMBL13181415 0.79 KMT2A (0.61) MAPTRAB9AKMT2APOLBALDH1A1
SCHEMBL934531 0.79 TRPV1 (0.54) MAPTCYP2C19MEN1KMT2APOLB
SCHEMBL13024401 0.79 TPSAB1 (0.50) LMNAEPHX2ALDH1A1TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE JOHANN WOLFGANG GOETHE-UNIVERSITAET FRANKFURT AM MAIN (DE) 2020-06-04 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-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE NR1H4, NR1H3, NR1H2 LMNA 4718/4885EPHX2 6/4885NR1H4 1/4885

“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.