SCHEMBL6169988

SCHEMBL6169988

CC(C)(C)c1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2C(=O)Nc2ccc3cn[nH]c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.53
CLK2 P49760 1/20 0.53
DYRK1A Q13627 1/20 0.53
SRPK1 Q96SB4 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
BTK Q06187 2/20 0.52
SYK P43405 1/20 0.52
F10 P00742 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NR1H4 Q96RI1 6/20 0.48
PPARG P37231 4/20 0.48
PPARA Q07869 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL6168129 0.94 MAP4K4 (0.54) MAP4K4CLK2DYRK1ASRPK1CLK4
SCHEMBL6170667 0.86 MAP4K4 (0.56) MAP4K4CLK2DYRK1ASRPK1CLK4
SCHEMBL6170774 0.86 NR1H4 (0.62) MAP4K4CLK2DYRK1ASRPK1CLK4
SCHEMBL6169846 0.85 ESR1 (0.55) BTKF10NR1H4PPARGPPARA
SCHEMBL6171764 0.83 RAB9A (0.53) MAP4K4CLK2DYRK1ASRPK1CLK4
SCHEMBL6169012 0.81 MAP4K4 (0.57) MAP4K4CLK2DYRK1ASRPK1CLK4
SCHEMBL7366501 0.80 F10 (0.47) F10ALDH1A1NR1H4PPARGPPARA
SCHEMBL5226932 0.80 NR1H4 (0.57) F10NPC1RAB9ALMNAMAPT
SCHEMBL7371060 0.79 F10 (0.46) F10NR1H4PPARGPPARAHPGD
SCHEMBL6169059 0.79 ESR1 (0.56) BTKMEN1KMT2ANR1H4PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US claimed
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 MAP4K4 3063/4885CLK2 3238/4885DYRK1A 4468/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 MAP4K4 3063/4885CLK2 3238/4885DYRK1A 4468/4885

“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.