SCHEMBL4882788

SCHEMBL4882788

Cc1nnc(-c2ccccc2)o1.O=S(=O)(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.55
RAB9A P51151 10/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
HPGD P15428 4/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
POLB P06746 1/20 0.55
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
MAOB P27338 3/20 0.51
MAOA P21397 1/20 0.51
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
LMNA P02545 1/20 0.47
ATAD2 Q6PL18 1/20 0.47
NOTUM Q6P988 1/20 0.47
TP53 P04637 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
SCHEMBL2306468 0.89 NPC1 (0.70) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL5112255 0.85 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL17836319 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL949422 0.79 MAOB (0.55) NPC1RAB9AHPGDCA1CA2
SCHEMBL14804393 0.78 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL9341650 0.76 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL10315084 0.74 RAB9A (0.58) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL30212294 0.74 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL17206630 0.74 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL8429603 0.73 MAOB (0.56) NPC1RAB9AHPGDCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US disclosed
EP-1732884-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2006-12-20 EP disclosed
WO-2005090298-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 WO disclosed
WO-2005090297-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 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-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread NR1I2, ITGA2, ITGB2 NPC1 2933/4885RAB9A 2599/4885SMN1; SMN2 4203/4885

“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.