SCHEMBL20126769

SCHEMBL20126769

CC(=O)C(N)CSSCCCCCCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.35
NOS1 P29475 6/20 0.33
NOS3 P29474 4/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
BLM P54132 1/20 0.32
BHMT Q93088 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
CPB2 Q96IY4 1/20 0.31
EPHX1 P07099 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL13461684 0.93 NOS2 (0.34) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL12248560 0.78 SLC1A3 (0.33) NOS2CYP3A4TSHRBLMBHMT
SCHEMBL8101166 0.78 NOS2 (0.38) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL13287266 0.78 NOS2 (0.38) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL14227023 0.78 NOS2 (0.38) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL16659160 0.78 NOS2 (0.38) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL17407546 0.76 GSR (0.41) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL6130047 0.75 LMNA (0.48) BLMKDM4CKDM4APHF8KDM2A
Acetic Acid SCHEMBL28487825 0.75 KDM4C (0.38) NOS2BLMKDM4CKDM4APHF8
SCHEMBL19618273 0.74 NOS2 (0.36) NOS2NOS1NOS3SLC1A3SLC1A2

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-20180127586-A1 DIHYDROPYRENE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND THEIR USES UNIVERSITE GRENOBLE ALPES (FR) 2018-05-10 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-20180127586-A1 DIHYDROPYRENE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND THEIR USES DHPS, DPYD, DHODH NOS2 2924/4885NOS1 3472/4885NOS3 3899/4885

“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.