SCHEMBL6214583

SCHEMBL6214583

COC(=O)c1cc2c(ccn2S(C)(=O)=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
HTR6 P50406 2/20 0.40
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.37
FABP4 P15090 2/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
MAOA P21397 1/20 0.34
MET P08581 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL6213561 0.77 HTR6 (0.43) BACE1HTR6ALDH1A1TSHRKMT2A
SCHEMBL6213181 0.77 HTR6 (0.46) BACE1HTR6FABP4KMT2AMEN1
SCHEMBL30895925 0.76 KDM4E (0.51) BACE1HTR6HSD17B10ALDH1A1HPGD
SCHEMBL5201525 0.76 KDM4E (0.51) BACE1HTR6HSD17B10ALDH1A1HPGD
SCHEMBL22805900 0.76 PIK3C3 (0.42) HTR6HSD17B10KDM4ESMN1; SMN2KMT2A
SCHEMBL15687522 0.72 NOTUM (0.46) BACE1HTR6SMN1; SMN2HDAC1HDAC6
SCHEMBL7465227 0.70 HTR6 (0.54) HTR6ALDH1A1FABP4KDM4EKMT2A
SCHEMBL522786 0.70 CA12 (0.47) HSD17B10ALDH1A1HPGDTSHRKDM4E
SCHEMBL17276134 0.68 MAOA (0.35) HSD17B10ALDH1A1HPGDTSHRPKM
SCHEMBL29496836 0.68 HTR6 (0.56) BACE1HTR6FABP4KMT2AMEN1

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 BACE1 2417/4885HTR6 2605/4885HSD17B10 3287/4885

“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.