SCHEMBL4812367

SCHEMBL4812367

O=S(=O)(c1cccc2cccnc12)N1CCc2cc[c]cc21

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
KMT2A Q03164 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 7/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX15 P16050 1/20 0.45
GFER P55789 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTR6 P50406 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
SCHEMBL4808920 0.81 TSHR (0.49) TSHRKMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL4808374 0.72 CYP3A4 (0.54) TSHRKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL12656093 0.70 L3MBTL1 (0.72) TSHRKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL18392416 0.70 KMT2A (0.71) TSHRKMT2AL3MBTL1ALDH1A1USP2
SCHEMBL5422444 0.69 L3MBTL1 (0.76) TSHRKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL4807338 0.69 POLB (0.43) TSHRKMT2AL3MBTL1GAASMN1; SMN2
SCHEMBL14183920 0.69 L3MBTL1 (0.71) TSHRKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL31684035 0.68 L3MBTL1 (0.74) TSHRKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL7380270 0.68 L3MBTL1 (0.65) TSHRKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL8220064 0.68 L3MBTL1 (0.69) TSHRKMT2AL3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
EP-1294691-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2006-11-08 EP disclosed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US disclosed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US disclosed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 US disclosed
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 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 (4 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 TSHR 2267/4885KMT2A 2346/4885L3MBTL1 625/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 TSHR 3987/4885KMT2A 3543/4885L3MBTL1 734/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 TSHR 3554/4885KMT2A 3553/4885L3MBTL1 896/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 TSHR 2267/4885KMT2A 2346/4885L3MBTL1 625/4885

“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.