SCHEMBL3226791

SCHEMBL3226791

CCOC(=O)Cc1cc(Br)c(Br)c(Oc2cc(C#N)cc(C(F)F)c2)c1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 7/20 0.35
VEGFA P15692 2/20 0.33
CYP3A4 P08684 3/20 0.32
RORC P51449 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1344277 0.89 EPAS1 (0.36) EPAS1VEGFACYP3A4RORCCYP2C9
SCHEMBL1343933 0.85 EPAS1 (0.38) EPAS1VEGFACYP3A4RORCCYP2C9
SCHEMBL1344436 0.85 CYP3A4 (0.44) EPAS1VEGFACYP3A4RORCCYP2C9
SCHEMBL1344314 0.83 CYP3A4 (0.46) EPAS1CYP3A4RORCCYP2C9CYP2C19
SCHEMBL1344213 0.79 CYP3A4 (0.39) EPAS1VEGFACYP3A4CYP2C9CYP2C19
SCHEMBL2638576 0.77 CA1 (0.40) EPAS1VEGFARORC
SCHEMBL14177525 0.77 EPAS1 (0.43) EPAS1VEGFA
SCHEMBL2638423 0.77 CA1 (0.43) EPAS1VEGFARORC
SCHEMBL13481901 0.77 EPAS1 (0.39) EPAS1VEGFACYP3A4RORCCYP2C9
SCHEMBL4363990 0.76 RORC (0.36) EPAS1VEGFARORC

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 9 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-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
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2005-10-27 US disclosed
US-20050239880-A1 Methods for treating retroviral infections ROCHE PALO ALTO LLC 2005-10-27 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 3677/4885VEGFA 3474/4885CYP3A4 3060/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 EPAS1 3126/4885VEGFA 4054/4885CYP3A4 2749/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 EPAS1 4373/4885VEGFA 3956/4885CYP3A4 2342/4885

“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.