SCHEMBL7350346

SCHEMBL7350346

Cc1ccc(S(=O)(=O)OCC2CCCN(C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
MMP1 P03956 2/20 0.47
MMP3 P08254 2/20 0.47
MMP7 P09237 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 1/20 0.47
GRIN2B Q13224 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.44
F13A1 P00488 2/20 0.44
TGM2 P21980 2/20 0.44
TGM1 P22735 2/20 0.44
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
PDE4B Q07343 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 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
SCHEMBL5452029 0.94 GRIN2B (0.53) MMP1MMP3MMP7MMP9MMP13
SCHEMBL17063265 0.92 GRIN2B (0.57) MMP1MMP3MMP7MMP9GRIN2B
SCHEMBL19475555 0.92 GRIN2B (0.57) MMP1MMP3MMP7MMP9GRIN2B
SCHEMBL31488027 0.90 LMNA (0.48) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4828216 0.88 GRIN2B (0.61) MMP1MMP3MMP7MMP9GRIN2B
SCHEMBL4274599 0.86 SMN1; SMN2 (0.50) BCL9CTNNB1MMP1MMP3MMP7
SCHEMBL3444835 0.86 SMN1; SMN2 (0.50) BCL9CTNNB1MMP1MMP3MMP7
SCHEMBL5357194 0.84 SMN1; SMN2 (0.48) MMP1MMP3MMP7MMP9MMP13
SCHEMBL14438448 0.84 SMN1; SMN2 (0.48) MMP1MMP3MMP7MMP9MMP13
SCHEMBL844498 0.84 SMN1; SMN2 (0.48) MMP1MMP3MMP7MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259800-B2 Method of fluorination using iodonium ylides THE GENERAL HOSPITAL CORPORATION (US) 2019-04-16 US disclosed
US-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES THE GENERAL HOSPITAL CORPORATION 2017-05-04 US disclosed
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0623595-A1 Guanidinyl- or amidinyl-substituted heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-09 EP 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-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES FLI1, ABL1, PFAS BCL9 1863/4885CTNNB1 4480/4885MMP1 3081/4885
US-10259800-B2 Method of fluorination using iodonium ylides FLI1, ABL1, PFAS BCL9 1863/4885CTNNB1 4480/4885MMP1 3081/4885

“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.