SCHEMBL1830458

SCHEMBL1830458

COC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ATR Q13535 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
NAMPT P43490 2/20 0.42
KDM4A O75164 1/20 0.41
APEX1 P27695 1/20 0.41
HDAC1 Q13547 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL14969490 0.90 TSHR (0.57) TSHRATRSMN1; SMN2GAALMNA
SCHEMBL1018437 0.88 NR1H4 (0.62) TSHRSMN1; SMN2NR1H4GAAL3MBTL1
SCHEMBL1205921 0.88 TSHR (0.47) TSHRATRGAALMNAHPGD
SCHEMBL23833116 0.86 TSHR (0.52) TSHRSMN1; SMN2NR1H4GAAL3MBTL1
SCHEMBL30964980 0.85 NR1H4 (0.48) TSHRATRSMN1; SMN2NR1H4GAA
SCHEMBL507319 0.85 TSHR (0.51) TSHRSMN1; SMN2NR1H4GAAHPGD
SCHEMBL1169112 0.84 EPHX2 (0.49) TSHRATRNR1H4GAAL3MBTL1
SCHEMBL24822576 0.84 ALDH1A1 (0.50) TSHRGAALMNAHPGDL3MBTL1
SCHEMBL30965061 0.84 TSHR (0.46) TSHRATRSMN1; SMN2GAALMNA
SCHEMBL7930745 0.84 TSHR (0.46) TSHRATRSMN1; SMN2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318375-B1 IMIDAZOLE CARBOXAMIDES LILLY CO ELI (US) 2012-09-19 EP disclosed
EP-2318375-B1 IMIDAZOLE CARBOXAMIDES LILLY CO ELI (US) 2012-09-19 EP disclosed
EP-2370438-A1 IMIDAZO [1,2A]PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION Exelixis, Inc. (US) 2011-10-05 EP disclosed
EP-2318375-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2011-05-11 EP disclosed
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 WO disclosed
WO-2010009062-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2010-01-21 WO disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 US disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 US disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 US 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-20100016373-A1 IMIDAZOLE CARBOXAMIDES CYP3A4, CYP2C9, AADAC TSHR 2923/4885ATR 3599/4885SMN1; SMN2 3176/4885
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 TSHR 730/4885ATR 4307/4885SMN1; SMN2 2046/4885

“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.