SCHEMBL7072637

SCHEMBL7072637

Cc1ccc(S(=O)(=O)N2CC(F)C[C@H]2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
MMP2 P08253 2/20 0.52
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
ANPEP P15144 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 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
SCHEMBL7072634 1.00 POLB (0.56) POLBMMP2NPSR1ALDH1A1KMT2A
SCHEMBL13571096 0.87 TRPA1 (0.50)
SCHEMBL17973852 0.87 TRPA1 (0.50)
SCHEMBL13570443 0.87 TRPA1 (0.50)
SCHEMBL15833062 0.87 TRPA1 (0.50)
SCHEMBL13571680 0.87 MMP2 (0.49) POLBMMP2ALDH1A1KMT2AL3MBTL1
SCHEMBL13570674 0.87 MMP2 (0.49) POLBMMP2ALDH1A1KMT2AL3MBTL1
SCHEMBL31630158 0.85 CA12 (0.60) MMP2CA12CA1CA2CA9
SCHEMBL23630457 0.85 POLB (0.61) POLBMMP2NPSR1ALDH1A1KMT2A
SCHEMBL3832846 0.85 POLB (0.61) POLBMMP2NPSR1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586602-B2 CD antigen antagonists such as N-(methanesulfonyl)-L-prolyl-L-phenylalanine and prodrugs used as antiinflammatory agents BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-07-01 US disclosed
US-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US disclosed
US-6362341-B1 ANTIINFLAMMATORY AGENTS ATHENA NEUROSCIENCES, INC. 2002-03-26 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-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 POLB 3878/4885MMP2 472/4885NPSR1 2315/4885

“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.