SCHEMBL14670259

SCHEMBL14670259

CCCC(=O)N1CCCCS1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
PER2 O15055 5/20 0.33
CRY1 Q16526 5/20 0.33
CRY2 Q49AN0 5/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.32
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL16181424 0.89 L3MBTL1 (0.49) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL16181431 0.84 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL27022789 0.79 EPHX2 (0.32) L3MBTL1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL16181060 0.78 ATM (0.35) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL16181062 0.73 ATM (0.32) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL805464 0.69 L3MBTL1 (0.72) L3MBTL1MEN1KMT2ATDP1CHRNB2
SCHEMBL18591638 0.68 CRY1 (0.36) PER2CRY1CRY2TP53
SCHEMBL7274770 0.68
SCHEMBL3839653 0.67 L3MBTL1 (0.73) L3MBTL1MEN1KMT2ATDP1CHRNB2
SCHEMBL2285414 0.67 CYP1A2 (0.36) TDP1

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-8748415-B2 C-28 amines of C-3 modified betulinic acid derivatives as HIV maturation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-10 US disclosed
US-20130029954-A1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 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-20130029954-A1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BET1, ERG28, CD4 L3MBTL1 3730/4885MEN1 2119/4885KMT2A 2178/4885

“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.