SCHEMBL1344277

SCHEMBL1344277

CCOC(=O)Cc1ccc(Br)c(Oc2cc(C#N)cc(C(F)F)c2)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 10/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORC P51449 1/20 0.34
VEGFA P15692 5/20 0.33
FFAR1 O14842 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1343933 0.91 EPAS1 (0.38) EPAS1CYP3A4CYP2C9CYP2C19RORC
SCHEMBL1344213 0.91 CYP3A4 (0.39) EPAS1CYP3A4CYP2C9CYP2C19VEGFA
SCHEMBL1344436 0.90 CYP3A4 (0.44) EPAS1CYP3A4CYP2C9CYP2C19RORC
SCHEMBL1344314 0.89 CYP3A4 (0.46) EPAS1CYP3A4CYP2C9CYP2C19RORC
SCHEMBL3226791 0.89 EPAS1 (0.35) EPAS1CYP3A4CYP2C9CYP2C19RORC
SCHEMBL14547393 0.87 EPAS1 (0.37) EPAS1CYP3A4CYP2C9CYP2C19RORC
SCHEMBL13481901 0.87 EPAS1 (0.39) EPAS1CYP3A4CYP2C9CYP2C19RORC
SCHEMBL1342245 0.87 CYP3A4 (0.48) EPAS1CYP3A4CYP2C9CYP2C19RORC
SCHEMBL1343934 0.82 CYP3A4 (0.41) EPAS1CYP3A4CYP2C9CYP2C19RORC
SCHEMBL1344605 0.81 CYP3A4 (0.48) EPAS1CYP3A4CYP2C9CYP2C19RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-8063064-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2011-11-22 US disclosed
US-8063028-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-22 US disclosed
EP-2057125-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-7608731-B2 Phenylacetic acid compounds ROCHE PALO ALTO LLC (US) 2009-10-27 US disclosed
US-20080108810-A1 Phenylacetic acid compounds ROCHE PALO ALTO LLC 2008-05-08 US disclosed
US-7291729-B2 Process for preparing 3-aryloxy-phenylacetic acid compounds ROCHE PALO ALTO LLC (US) 2007-11-06 US disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
US-20050234236-A1 Process for preparing pyridazinone compounds ROCHE PALO ALTO LLC 2005-10-20 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 (3 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-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 EPAS1 3677/4885CYP3A4 3060/4885CYP2C9 2972/4885
US-20080108810-A1 Phenylacetic acid compounds CYP2A6, CYP2B6, DDC EPAS1 3946/4885CYP3A4 100/4885CYP2C9 288/4885
US-20050234236-A1 Process for preparing pyridazinone compounds CYP2A6, CYP2B6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EPAS1 4215/4885CYP3A4 73/4885CYP2C9 226/4885

“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.