SCHEMBL3936071

SCHEMBL3936071

Cc1ccc(S(=O)(=O)N(C)c2cnccc2N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
C5AR1 P21730 1/20 0.43
MMP9 P14780 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KCNA5 P22460 1/20 0.41
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
ADAMTS4 O75173 1/20 0.41

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
SCHEMBL3932982 0.88 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL2058655 0.83 ITGB1 (0.49) LMNATSHRC5AR1MMP9CA12
SCHEMBL2058768 0.78 ITGB1 (0.50) LMNATSHRC5AR1MMP9ITGB1
SCHEMBL2058944 0.72 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL5572244 0.71 HSD17B10 (0.52) LMNAALDH1A1TDP1POLBADAMTS4
SCHEMBL5569735 0.71 HSD17B10 (0.52) LMNAALDH1A1TDP1POLBADAMTS4
SCHEMBL3936177 0.71 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL5850973 0.71 CA1 (0.51) MMP9ALDH1A1CA12CA9CA1
SCHEMBL5572753 0.70 SMN1; SMN2 (0.55) LMNAMMP9ALDH1A1CA12CA9
SCHEMBL5496683 0.70 LMNA (0.61) LMNAALDH1A1TDP1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144328-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2003-07-31 US claimed
US-7538215-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 EP disclosed
US-20050261293-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2005-11-24 US disclosed
US-6903088-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-20030144328-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2003-07-31 US disclosed
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 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-20050261293-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 KEAP1 3344/4885LMNA 3701/4885TSHR 3389/4885
US-20030144328-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 KEAP1 3344/4885LMNA 3701/4885TSHR 3389/4885

“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.