SCHEMBL16664133

SCHEMBL16664133

CCCCCCC(C)C(=O)N1CCS(=O)(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
ACE2 Q9BYF1 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
CHEK1 O14757 1/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR2 P34972 1/20 0.36
GPR84 Q9NQS5 3/20 0.36
FDPS P14324 3/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL12352563 0.98 CA1 (0.44) CA1ACE2L3MBTL1CHEK1FFAR1
SCHEMBL16664155 0.85 CA1 (0.50) CA1ACE2L3MBTL1FFAR1FFAR4
SCHEMBL16417923 0.84 HSD17B10 (0.48) CA1ACE2L3MBTL1FFAR1FFAR4
SCHEMBL19364611 0.84 HSD17B10 (0.48) CA1ACE2L3MBTL1FFAR1FFAR4
SCHEMBL10290443 0.84 CHEK1 (0.38) CHEK1FFAR1CNR2GPR84
SCHEMBL20445091 0.83 L3MBTL1 (0.53) CA1ACE2L3MBTL1FFAR4MEN1
SCHEMBL27650965 0.83 L3MBTL1 (0.53) CA1ACE2L3MBTL1FFAR4MEN1
SCHEMBL12352198 0.83 L3MBTL1 (0.53) CA1ACE2L3MBTL1FFAR4MEN1
SCHEMBL12351438 0.83 CA1 (0.52) CA1ACE2L3MBTL1FFAR1FFAR4
SCHEMBL10290410 0.83 ALDH1A1 (0.45) CA1CHEK1FFAR1CNR2GPR84

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-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CA1 1574/4885ACE2 176/4885L3MBTL1 4750/4885

“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.