SCHEMBL3279364

SCHEMBL3279364

O=S(=O)(c1c[c]c(Cl)cc1Cl)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
ENPP2 Q13822 7/20 0.47
LPAR1 Q92633 3/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL6937936 0.76 TSHR (0.49) TSHRSMN1; SMN2LMNAENPP2LPAR1
SCHEMBL3279180 0.75 KMT2A (0.49) TSHRSMN1; SMN2LMNAKMT2APOLB
SCHEMBL20535615 0.75 POLB (0.58) TSHRSMN1; SMN2LMNAKMT2APOLB
SCHEMBL19668615 0.74 TSHR (0.60) TSHRSMN1; SMN2LMNAENPP2LPAR1
SCHEMBL7312862 0.74 POLB (0.53) TSHRSMN1; SMN2LMNAKMT2APOLB
SCHEMBL19668646 0.73 TSHR (0.58) TSHRSMN1; SMN2LMNAENPP2LPAR1
SCHEMBL11689147 0.73 TSHR (0.62) TSHRSMN1; SMN2LMNAENPP2LPAR1
SCHEMBL4760475 0.73 LMNA (0.74) SMN1; SMN2LMNAENPP2LPAR1KMT2A
SCHEMBL3324771 0.72 CNR1 (0.54) TSHRENPP2LPAR1KMT2AALDH1A1
SCHEMBL6422603 0.71 ALDH1A1 (0.73) TSHRSMN1; SMN2LMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 EP claimed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US claimed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 EP claimed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 WO claimed
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 EP disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 EP disclosed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 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-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC TSHR 4695/4885SMN1; SMN2 4264/4885LMNA 2227/4885

“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.