SCHEMBL15344641

SCHEMBL15344641

O=C(C#Cc1ccccc1)O[SH](=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.47
VCP P55072 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HSP90AA1 P07900 3/20 0.42
AGTR1 P30556 1/20 0.42
PAX8 Q06710 1/20 0.42
TLR9 Q9NR96 1/20 0.42
APP P05067 1/20 0.41
FFAR1 O14842 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
NLRP3 Q96P20 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
OPRK1 P41145 1/20 0.39
PAM P19021 1/20 0.38
GFER P55789 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL777600 0.79 NPSR1 (0.53) NPSR1VCPNPC1RAB9AHSP90AA1
SCHEMBL27129568 0.76 NPSR1 (0.50) NPSR1VCPNPC1RAB9AHSP90AA1
SCHEMBL3468257 0.76 NPSR1 (0.50) NPSR1VCPNPC1RAB9AHSP90AA1
SCHEMBL18485606 0.76 NPSR1 (0.50) NPSR1VCPNPC1RAB9AHSP90AA1
SCHEMBL124863 0.76 NPSR1 (0.55) NPSR1VCPNPC1RAB9AHSP90AA1
SCHEMBL18485604 0.74 NPSR1 (0.57) NPSR1VCPNPC1RAB9AHSP90AA1
SCHEMBL15279130 0.74 NPSR1 (0.48) NPSR1VCPNPC1RAB9AHSP90AA1
SCHEMBL776404 0.73 NPSR1 (0.52) NPSR1VCPNPC1RAB9AHSP90AA1
SCHEMBL1686093 0.73 NPSR1 (0.52) NPSR1VCPNPC1RAB9AHSP90AA1
SCHEMBL8103677 0.72 NPSR1 (0.59) NPSR1VCPNPC1RAB9AHSP90AA1

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-20130289104-A1 ALIPHATIC AMINO ACID BIOSYNTHESIS INHIBITORS AND A METHOD OF SYNTHESIZING THE SAME Sardari, Soroush (IR) 2013-10-31 US disclosed
US-8569361-B1 Aliphatic amino acid biosynthesis inhibitors and a method of synthesizing the same SARDARI SOROUSH (IR) 2013-10-29 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-20130289104-A1 ALIPHATIC AMINO ACID BIOSYNTHESIS INHIBITORS AND A METHOD OF SYNTHESIZING THE SAME DDC, BCAT2, BCAT1 NPSR1 4597/4885VCP 375/4885NPC1 4539/4885

“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.