SCHEMBL6108108

SCHEMBL6108108

CCCS(=O)(=O)c1cc(OC)nc(S(=O)(=O)CCC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ HPGD P15428 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ NPSR1 Q6W5P4 4/20 0.35
▸ TP53 P04637 4/20 0.35
▸ S1PR4 O95977 3/20 0.35
▸ S1PR1 P21453 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TXNRD1 Q16881 3/20 0.34
▸ STAT3 P40763 2/20 0.33
▸ STAT1 P42224 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL5365540 0.78 LMNA (0.47) LMNASMN1; SMN2ITGB1ITGA4HPGD
SCHEMBL5367572 0.76 KDM4E (0.40) LMNASMN1; SMN2HPGDKMT2ANPSR1
SCHEMBL5365940 0.74 LMNA (0.40) LMNASMN1; SMN2ITGB1ITGA4HPGD
SCHEMBL5360302 0.70 LMNA (0.78) LMNASMN1; SMN2ITGB1ITGA4HPGD
SCHEMBL7146020 0.67 LMNA (0.55) LMNASMN1; SMN2KMT2ANPSR1TP53
SCHEMBL6692247 0.67 LMNA (0.39) LMNAKMT2ATP53RAB9ATXNRD1
SCHEMBL5363392 0.66 THRB (0.37) ITGB1ITGA4HPGDTXNRD1KDM4E
SCHEMBL1067726 0.65 SMN1; SMN2 (1.00) LMNASMN1; SMN2ITGB1ITGA4HPGD
SCHEMBL6651527 0.65 SMN1; SMN2 (0.56) LMNASMN1; SMN2TP53ALDH1A1RAB9A
SCHEMBL7807155 0.65 TXNRD1 (0.52) LMNASMN1; SMN2HPGDKMT2ANPSR1

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-7015216-B2 Heteroaryl-β-alanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2006-03-21 — — US disclosed
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-07-04 — — US disclosed
US-6348463-B1 Phenylalanine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2002-02-19 — — US disclosed
WO-2002008222-A2 HETEROARYL-β-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 — — WO disclosed
EP-1117657-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-07-25 — — EP disclosed
WO-2000018759-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-06 — — WO 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-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors ITGAL, ITGB4, ITGA4 LMNA 1126/4885SMN1; SMN2 2616/4885ITGB1 4/4885

“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.

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