SCHEMBL1126863

SCHEMBL1126863

CCC(=CC(=O)O)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
HPGDS O60760 1/20 0.44
GSK3B P49841 1/20 0.44
TSHR P16473 3/20 0.44
HDAC1 Q13547 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL9710205 0.80 DAO (0.55) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL28425855 0.80 DAO (0.55) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL9710203 0.80 DAO (0.55) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL25842392 0.78 NPC1 (0.42) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL126601 0.76 DAO (0.59) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL21654062 0.75 RAB9A (0.47) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL28911298 0.74 DAO (0.57) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL21654061 0.74 TSHR (0.42) DAONPC1RAB9AALDH1A1MEN1
SCHEMBL1232758 0.74
SCHEMBL2334855 0.73

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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 DAO 1155/4885NPC1 491/4885RAB9A 729/4885

“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.