SCHEMBL6213181

SCHEMBL6213181

CS(=O)(=O)n1ccc2cc(F)c(O)cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.46
BACE1 P56817 1/20 0.43
FABP4 P15090 3/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32

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
SCHEMBL6215672 0.80 FABP4 (0.43) HTR6BACE1FABP4RAPGEF4
SCHEMBL6213561 0.78 HTR6 (0.43) HTR6BACE1POLBL3MBTL1MEN1
SCHEMBL6214583 0.77 BACE1 (0.41) HTR6BACE1FABP4POLBL3MBTL1
SCHEMBL5201482 0.75 BACE1 (0.59) HTR6BACE1FABP4RAPGEF4MEN1
SCHEMBL29496836 0.75 HTR6 (0.56) HTR6BACE1FABP4HTR2AHTR2C
SCHEMBL29573918 0.74 PRKCI (0.44) HTR2AHTR2C
SCHEMBL1995998 0.73 HTR6 (0.56) HTR6POLBL3MBTL1MEN1KMT2A
SCHEMBL6215193 0.73 HTR6 (0.39) HTR6BACE1POLBL3MBTL1MEN1
SCHEMBL21240885 0.69 HTR6 (0.58) HTR6BACE1FABP4RAPGEF4HTR2A
SCHEMBL12994620 0.69 FABP4 (0.54) HTR6BACE1FABP4RAPGEF4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192132-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 US disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 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 (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-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 HTR6 2605/4885BACE1 2417/4885FABP4 3803/4885

“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.