SCHEMBL4619403

SCHEMBL4619403

CCc1cc(Br)ccc1S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.42
CA1 P00915 4/20 0.42
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
LMNA P02545 2/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTPN1 P18031 1/20 0.40
SLC6A9 P48067 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
PDIA6 Q15084 1/20 0.38
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16099539 0.83 PTGS2 (0.49) CA2CA1CA12CA9LMNA
SCHEMBL707800 0.82 PTPN1 (0.40) CA2CA1LMNAPTPN1SLC6A9
SCHEMBL18064377 0.82 ATM (0.41) CA2CA1CA12CA9LMNA
SCHEMBL6534311 0.81 PTPN1 (0.42) CA2CA1CA12CA9LMNA
SCHEMBL552405 0.81 SMN1; SMN2 (0.41) CA2CA1LMNAPTPN1SLC6A9
SCHEMBL27663182 0.80 CA2 (0.42) CA2CA1CA12CA9LMNA
Hydrochloric Acid SCHEMBL27713731 0.79 PTPN1 (0.41) CA2CA1CA12CA9LMNA
SCHEMBL18498853 0.79 PTGS2 (0.41) CA2CA1CA12CA9LMNA
SCHEMBL23319859 0.78 CA2 (0.53) CA2CA1CA12CA9LMNA
SCHEMBL9644228 0.78 L3MBTL1 (0.46) CA2CA1CA12CA9CA4

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-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands NOVARTIS AG (CH) 2008-12-11 US disclosed
CN-101184739-A Polycyclic * diazoles and iso- * azoles and their use as ligands for the S1P receptor NOVARTIS AG (CH) 2008-05-21 CN disclosed
EP-1893591-A1 POLYCYCLIC OXADIAZOLES OR I SOXAZOLES AND THEIR USE AS SlP RECEPTOR LIGANDS Novartis AG (CH) 2008-03-05 EP disclosed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006131336-A1 POLYCYCLIC OXADIAZOLES OR I SOXAZOLES AND THEIR USE AS SlP RECEPTOR LIGANDS NOVARTIS AG (CH) 2006-12-14 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 (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-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands SOX18, SIGMAR1, SUCNR1 CA2 1053/4885CA1 1379/4885CA12 2154/4885
US-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 CA2 236/4885CA1 1466/4885CA12 1900/4885

“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.