SCHEMBL1105470

SCHEMBL1105470

COc1ccc(C)cc1OC(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.65
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
AR P10275 2/20 0.46
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR3 P46089 1/20 0.41
CYP1A2 P05177 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40

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
SCHEMBL10196126 0.92 ACHE (0.65) ACHEALDH1A1CYP3A4ARMAPT
SCHEMBL13523564 0.90 ACHE (0.48) ACHEALDH1A1CYP3A4ARMAPT
SCHEMBL18333517 0.85 ACHE (0.50) ACHEALDH1A1CYP3A4ARMAPT
SCHEMBL14003459 0.83 ACHE (0.53) ACHEALDH1A1CYP3A4MAPTHPGD
SCHEMBL29403877 0.80 ACHE (1.00) ACHEALDH1A1CYP3A4MAPTHPGD
SCHEMBL12518 0.80 ACHE (1.00) ACHEALDH1A1CYP3A4MAPTHPGD
SCHEMBL29435950 0.80 NFE2L2 (0.46) ACHECYP3A4CYP2C9CYP2C19GPR3
SCHEMBL22203235 0.80 NFE2L2 (0.46) ACHECYP3A4CYP2C9CYP2C19GPR3
SCHEMBL5023995 0.80 SLC1A5 (0.44) ACHEALDH1A1CYP3A4MAPTHPGD
SCHEMBL16961147 0.79 L3MBTL1 (0.50) ACHEALDH1A1ARMAPTHPGD

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
US-9366906-B2 Photoreactive compounds ROLIC AG (CH) 2016-06-14 US disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8859545-B2 Tetrahydronaphthyridine and tetrahydropyrido[4,3-D]pyrimidine compounds and compositions thereof useful for the treatment of inflammatory and respiratory diseases EVOTEC AG (DE) 2014-10-14 US disclosed
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2014-07-10 US disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS ACHE 2203/4885ALDH1A1 782/4885CYP3A4 85/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ACHE 2203/4885ALDH1A1 782/4885CYP3A4 85/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ACHE 2203/4885ALDH1A1 782/4885CYP3A4 85/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ACHE 2203/4885ALDH1A1 782/4885CYP3A4 85/4885
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS PCNA, CRY1, CRY2 ACHE 2777/4885ALDH1A1 2806/4885CYP3A4 1905/4885

“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.