SCHEMBL2216735

SCHEMBL2216735

NC(C(=O)O)C(Cc1ccccc1)SCCNC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.53
SLC1A1 P43005 4/20 0.53
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 1/20 0.49
TGM2 P21980 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
CTRB1 P17538 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
FOLH1 Q04609 1/20 0.43
SLC1A2 P43004 3/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2217445 0.79 MAPT (0.51) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7363823 0.78 LMNA (0.60) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL15372902 0.77 SLC1A3 (0.62) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL10825360 0.77 SLC1A3 (0.62) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL18732911 0.76 LMNA (0.65) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL10825548 0.76 SLC1A3 (0.65) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL10825552 0.76 SLC1A3 (0.65) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL1429727 0.74 SLC1A3 (0.56) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL29401172 0.74 SLC1A3 (0.78) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL8390660 0.74 SLC1A3 (0.78) SLC1A3SLC1A1LMNASMN1; SMN2HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-9126955-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2015-09-08 US disclosed
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-07-24 US disclosed
US-8722655-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of tafia SANOFI (FR) 2014-05-13 US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 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 (2 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-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 SLC1A3 4227/4885SLC1A1 4503/4885LMNA 1810/4885
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 SLC1A3 4221/4885SLC1A1 4506/4885LMNA 1749/4885

“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.