SCHEMBL6170952

SCHEMBL6170952

CC(C)(C)c1ccc(C(=O)Oc2ccccc2C(=O)Nc2ccc3cn[nH]c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
BTK Q06187 2/20 0.53
SYK P43405 1/20 0.53
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
CFTR P13569 1/20 0.51
NR1H4 Q96RI1 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAOB P27338 3/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
PPARG P37231 1/20 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
SCHEMBL6170774 0.85 NR1H4 (0.62) NPC1RAB9ASMN1; SMN2HPGDBTK
SCHEMBL6169423 0.83 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL6169107 0.80 BTK (0.59) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL6170875 0.80 NR1H4 (0.46) SMN1; SMN2LMNANR1H4MAPTPPARG
SCHEMBL7371977 0.79 NR1H4 (0.46) SMN1; SMN2CFTRNR1H4PPARGPPARA
SCHEMBL5228556 0.79 KMT2A (0.62) RAB9ASMN1; SMN2LMNANR1H4ALDH1A1
SCHEMBL6169012 0.77 MAP4K4 (0.57) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL6169267 0.77 TP53 (0.43) SMN1; SMN2NR1H4MAPTPPARGPPARA
SCHEMBL5227493 0.77 KMT2A (0.58) NPC1RAB9ASMN1; SMN2NR1H4ALDH1A1
SCHEMBL6170871 0.76 NR1H4 (0.48) SMN1; SMN2LMNANR1H4MAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 1604/4885RAB9A 3012/4885SMN1; SMN2 3287/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 NPC1 1604/4885RAB9A 3012/4885SMN1; SMN2 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.