SCHEMBL3894787

SCHEMBL3894787

Cc1cc(C)cc(C(=O)Cc2ccnc(NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.42
NR3C2 P08235 5/20 0.42
CYP17A1 P05093 1/20 0.40
CCR2 P41597 2/20 0.40
MAPK10 P53779 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RIOK2 Q9BVS4 3/20 0.39
MAPK8 P45983 1/20 0.39
GSK3A P49840 1/20 0.39
HIPK1 Q86Z02 1/20 0.39
SNRK Q9NRH2 1/20 0.39
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ATR Q13535 1/20 0.38
LCK P06239 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL5202372 0.91 NR3C2 (0.47) IGF1RNR3C2CYP17A1CCR2MAPK10
SCHEMBL3890052 0.90 NR3C2 (0.48) IGF1RNR3C2CCR2MAPK10SMN1; SMN2
SCHEMBL5761933 0.87 CYP17A1 (0.49) IGF1RNR3C2CYP17A1CCR2RIOK2
SCHEMBL3900906 0.87 NR3C2 (0.46) IGF1RNR3C2CYP17A1CCR2MAPK10
SCHEMBL3888179 0.85 NR3C2 (0.46) IGF1RNR3C2CYP17A1CCR2SMN1; SMN2
SCHEMBL3892526 0.85 CCR2 (0.47) IGF1RCCR2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6578450 0.85 NR3C2 (0.46) IGF1RNR3C2CCR2MAPK10SMN1; SMN2
SCHEMBL3892560 0.84 NR3C2 (0.51) IGF1RNR3C2MAPK10SMN1; SMN2ALDH1A1
SCHEMBL3888502 0.84 IGF1R (0.42) IGF1RNR3C2CYP17A1CCR2RIOK2
SCHEMBL3887366 0.83 IGF1R (0.47) IGF1RNR3C2CYP17A1CCR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of OHKAWA SHIGENORI 2009-02-19 US disclosed
US-7276527-B2 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-02 US disclosed
EP-1180518-B1 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-01-17 EP disclosed
US-7101899-B1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
US-20060135566-A1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof OHKAWA SHIGENORI 2006-06-22 US disclosed
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
EP-1180518-A1 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-20 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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 (5 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 IGF1R 3974/4885NR3C2 1929/4885CYP17A1 2731/4885
US-20060135566-A1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof ADORA3, MAPK4, MAPK3 IGF1R 231/4885NR3C2 95/4885CYP17A1 1444/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 IGF1R 693/4885NR3C2 1086/4885CYP17A1 3912/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 IGF1R 2376/4885NR3C2 198/4885CYP17A1 1043/4885
US-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of ADORA3, ADORA1, MAPK3 IGF1R 229/4885NR3C2 63/4885CYP17A1 1508/4885

“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.