SCHEMBL3279540

SCHEMBL3279540

Cc1cc[c]cc1S(=O)(=O)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CNR2 P34972 1/20 0.50
ATM Q13315 1/20 0.50
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8514786 0.77 TSHR (0.75) ALDH1A1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL14818738 0.75 TSHR (0.71) ALDH1A1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL15872007 0.75 ALDH1A1 (0.71) ALDH1A1TSHRSMN1; SMN2POLBL3MBTL1
SCHEMBL4555634 0.75 ALDH1A1 (0.71) ALDH1A1TSHRSMN1; SMN2POLBL3MBTL1
SCHEMBL2122633 0.73 USP2 (0.73) ALDH1A1TSHRSMN1; SMN2POLBL3MBTL1
SCHEMBL76639 0.73 USP2 (0.73) ALDH1A1TSHRSMN1; SMN2POLBL3MBTL1
SCHEMBL24124809 0.72 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2POLBL3MBTL1
SCHEMBL4166290 0.72 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2POLBL3MBTL1
SCHEMBL23326420 0.72 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2POLBL3MBTL1
SCHEMBL15052643 0.72 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2POLBL3MBTL1

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 ALDH1A1 1944/4885TSHR 4695/4885CYP3A4 4209/4885

“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.