SCHEMBL6108092

SCHEMBL6108092

COC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C19 P33261 1/20 0.72
ELANE P08246 1/20 0.70
PRTN3 P24158 1/20 0.70
APOBEC3A P31941 1/20 0.66
APOBEC3G Q9HC16 1/20 0.66
HPGD P15428 2/20 0.64
MAPK10 P53779 1/20 0.64
NR1H4 Q96RI1 8/20 0.62
PPARG P37231 6/20 0.62
ALDH1A1 P00352 3/20 0.62
RAB9A P51151 2/20 0.62
PPARA Q07869 2/20 0.62
NPC1 O15118 1/20 0.62
GLA P06280 1/20 0.62
ATM Q13315 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KDM4E B2RXH2 3/20 0.62

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
SCHEMBL2291128 0.88 KDM4E (0.66) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL9180331 0.87 ELANE (0.72) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL11665959 0.86 TSHR (0.77) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL4203434 0.85 TSHR (0.76) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL9339256 0.85 TSHR (0.76) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL7292297 0.85 NR1H4 (0.74) NR1H4PPARGALDH1A1RAB9APPARA
SCHEMBL6105957 0.85 NR1H4 (0.78) NR1H4PPARGALDH1A1RAB9APPARA
SCHEMBL4800345 0.85 KDM4E (0.59) TSHRCYP1A2CYP2D6CYP2C19ELANE
SCHEMBL6108626 0.84 KDM4E (0.68) TSHRCYP1A2CYP2D6CYP2C19HPGD
SCHEMBL11045073 0.84 F10 (0.77) TSHRCYP1A2CYP2D6CYP2C19ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129245-B2 Anticoagulants which act selectively on factor Xa; fast acting; oral; do not interfere with lysis of blood clots ELI LILLY AND COMPANY (US) 2006-10-31 US disclosed
US-20050282862-A1 Aromatic amides BEIGHT DOUGLAS W 2005-12-22 US disclosed
EP-1140903-B1 AROMATIC AMIDES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6759414-B2 ANTICOAGULANTS WHICH ACT SELECTIVELY ON FACTOR XA; FAST ACTING; ORAL; DO NOT INTERFERE WITH LYSIS OF BLOOD CLOTS ELI LILLY AND COMPANY 2004-07-06 US disclosed
US-20040029874-A1 Aromatic amides BEIGHT DOUGLAS WADE (US) 2004-02-12 US disclosed
US-6635657-B1 Pyridine derivatives; anticoagulants ELI LILLY AND COMPANY 2003-10-21 US disclosed
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP 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-20040029874-A1 Aromatic amides F11, F12, F5 TSHR 1609/4885CYP1A2 369/4885CYP2D6 829/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 TSHR 1609/4885CYP1A2 369/4885CYP2D6 829/4885

“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.